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Year Citation  Score
2022 Zhao Y, Kremer K. The Effects of Proline Isomerization on the Solvation Behavior of Elastin-Like Polypeptides in Water-Ethanol Mixtures. Macromolecular Rapid Communications. e2100907. PMID 35124875 DOI: 10.1002/marc.202100907  0.396
2022 Hsu HP, Kremer K. Erratum: "Efficient equilibration of confined and free-standing films of highly entangled polymer melts" [J. Chem. Phys. 153, 144902 (2020)]. The Journal of Chemical Physics. 156: 019901. PMID 34998336 DOI: 10.1063/5.0081077  0.266
2021 Cortes-Huerto R, Praprotnik M, Kremer K, Delle Site L. From adaptive resolution to molecular dynamics of open systems. The European Physical Journal. B. 94: 189. PMID 34720711 DOI: 10.1140/epjb/s10051-021-00193-w  0.348
2021 Iscen A, Forero-Martinez NC, Valsson O, Kremer K. Acrylic Paints: An Atomistic View of Polymer Structure and Effects of Environmental Pollutants. The Journal of Physical Chemistry. B. 125: 10854-10865. PMID 34524824 DOI: 10.1021/acs.jpcb.1c05188  0.814
2021 Zhao Y, Kremer K. Proline Isomerization Regulates the Phase Behavior of Elastin-Like Polypeptides in Water. The Journal of Physical Chemistry. B. 125: 9751-9756. PMID 34424695 DOI: 10.1021/acs.jpcb.1c04779  0.497
2021 Chen C, Singh MK, Wunderlich K, Harvey S, Whitfield CJ, Zhou Z, Wagner M, Landfester K, Lieberwirth I, Fytas G, Kremer K, Mukherji D, Ng DYW, Weil T. Polymer cyclization for the emergence of hierarchical nanostructures. Nature Communications. 12: 3959. PMID 34172744 DOI: 10.1038/s41467-021-24222-5  0.808
2021 Tubiana L, Kobayashi H, Potestio R, Duenweg B, Kremer K, Virnau P, Daoulas K. Comparing equilibration schemes of high-molecular-weight polymer melts with topological indicators. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 33765663 DOI: 10.1088/1361-648X/abf20c  0.662
2021 Baptista LA, Dutta RC, Sevilla M, Heidari M, Potestio R, Kremer K, Cortes-Huerto R. Density-Functional-Theory Approach to the Hamiltonian Adaptive Resolution Simulation Method. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 33690194 DOI: 10.1088/1361-648X/abed1d  0.772
2021 Rudzinski JF, Kloth S, Wörner S, Pal T, Kremer K, Bereau T, Vogel M. Dynamical properties across different coarse-grained models for ionic liquids. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 33592598 DOI: 10.1088/1361-648X/abe6e1  0.785
2020 Heidari M, Kremer K, Golestanian R, Potestio R, Cortes-Huerto R. Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations. The Journal of Chemical Physics. 152: 194104. PMID 33687261 DOI: 10.1063/1.5143268  0.74
2020 Jangizehi A, Schmid F, Besenius P, Kremer K, Seiffert S. Defects and defect engineering in Soft Matter. Soft Matter. PMID 33306078 DOI: 10.1039/d0sm01371d  0.796
2020 Hsu HP, Kremer K. Efficient equilibration of confined and free-standing films of highly entangled polymer melts. The Journal of Chemical Physics. 153: 144902. PMID 33086819 DOI: 10.1063/5.0022781  0.726
2020 Liu C, Brandenburg JG, Valsson O, Kremer K, Bereau T. Free-energy landscape of polymer-crystal polymorphism. Soft Matter. PMID 33000842 DOI: 10.1039/D0Sm01342K  0.684
2020 Singh MK, Hu M, Cang Y, Hsu HP, Therien-Aubin H, Koynov K, Fytas G, Landfester K, Kremer K. Glass Transition of Disentangled and Entangled Polymer Melts: Single-Chain-Nanoparticles Approach. Macromolecules. 53: 7312-7321. PMID 32921812 DOI: 10.1021/Acs.Macromol.0C00550  0.778
2020 Peter C, Delle Site L, Kremer K. Classical simulations from the atomistic to the mesoscale and back: coarse graining an liquid crystal. Soft Matter. 4: 859-869. PMID 32907192 DOI: 10.1039/B717324E  0.77
2020 Junghans C, Praprotnik M, Kremer K. Transport properties controlled by a thermostat: An extended dissipative particle dynamics thermostat. Soft Matter. 4: 156-161. PMID 32907095 DOI: 10.1039/B713568H  0.774
2020 Zhang J, Kremer K, Michels JJ, Daoulas KC. Exploring Disordered Morphologies of Blends and Block Copolymers for Light-Emitting Diodes with Mesoscopic Simulations. Macromolecules. 53: 523-538. PMID 32655190 DOI: 10.1021/acs.macromol.9b02402  0.379
2020 Fiorentini R, Kremer K, Potestio R. Ligand-protein interactions in lysozyme investigated through a dual-resolution model. Proteins. PMID 32525263 DOI: 10.1002/prot.25954  0.346
2020 Zhao Y, Cortes-Huerto R, Kremer K, Rudzinski JF. Investigating the Conformational Ensembles of Intrinsically-Disordered Proteins With a Simple Physics-Based Model. The Journal of Physical Chemistry. B. PMID 32345021 DOI: 10.1021/acs.jpcb.0c01949  0.577
2020 Zhao Y, Singh MK, Kremer K, Cortes-Huerto R, Mukherji D. Why Do Elastin-Like Polypeptides Possibly Have Different Solvation Behaviors in Water-Ethanol and Water-Urea Mixtures? Macromolecules. 53: 2101-2110. PMID 32226139 DOI: 10.1021/acs.macromol.9b02123  0.625
2020 Smrek J, Chubak I, Likos CN, Kremer K. Active topological glass. Nature Communications. 11: 26. PMID 31911582 DOI: 10.1038/s41467-019-13696-z  0.597
2020 Mukherji D, Marques CM, Kremer K. Smart Responsive Polymers: Fundamentals and Design Principles Annual Review of Condensed Matter Physics. 11: 271-299. DOI: 10.1146/annurev-conmatphys-031119-050618  0.266
2020 Ohkuma T, Kremer K. A composition transferable and time-scale consistent coarse-grained model for cis-polyisoprene and vinyl-polybutadiene oligomeric blends Journal of Physics: Materials. 3: 034007. DOI: 10.1088/2515-7639/ab906b  0.266
2020 Heidari M, Kremer K, Golestanian R, Potestio R, Cortes-Huerto R. Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations The Journal of Chemical Physics. 152: 194104. DOI: 10.1063/1.5143268  0.595
2020 Schlisske S, Rosenauer C, Rödlmeier T, Giringer K, Michels JJ, Kremer K, Lemmer U, Morsbach S, Daoulas KC, Hernandez‐Sosa G. Ink Formulation for Printed Organic Electronics: Investigating Effects of Aggregation on Structure and Rheology of Functional Inks Based on Conjugated Polymers in Mixed Solvents Advanced Materials and Technologies. 2000335. DOI: 10.1002/Admt.202000335  0.376
2019 Bause M, Wittenstein T, Kremer K, Bereau T. Microscopic reweighting for nonequilibrium steady-state dynamics. Physical Review. E. 100: 060103. PMID 31962494 DOI: 10.1103/Physreve.100.060103  0.682
2019 Wörner SJ, Bereau T, Kremer K, Rudzinski JF. Direct route to reproducing pair distribution functions with coarse-grained models via transformed atomistic cross correlations. The Journal of Chemical Physics. 151: 244110. PMID 31893905 DOI: 10.1063/1.5131105  0.693
2019 Chen C, Wunderlich K, Mukherji D, Koynov K, Heck A, Raabe M, Barz M, Fytas G, Kremer K, Ng DYW, Weil T. Precision Anisotropic Brush Polymers by Sequence Controlled Chemistry. Journal of the American Chemical Society. PMID 31829581 DOI: 10.1021/Jacs.9B10491  0.769
2019 Heidari M, Cortes-Huerto R, Potestio R, Kremer K. Steering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences. The Journal of Chemical Physics. 151: 144105. PMID 31615249 DOI: 10.1063/1.5117780  0.375
2019 Forero-Martinez NC, Baumeier B, Kremer K. Backbone Chemical Composition and Monomer Sequence Effects on Phenylene Polymer Persistence Lengths. Macromolecules. 52: 5307-5316. PMID 31543550 DOI: 10.1021/acs.macromol.9b00819  0.415
2019 Hsu HP, Kremer K. Clustering of Entanglement Points in Highly Strained Polymer Melts. Macromolecules. 52: 6756-6772. PMID 31534275 DOI: 10.1021/acs.macromol.9b01120  0.736
2019 Hsu HP, Kremer K. Erratum: "A coarse-grained polymer model for studying the glass transition" [J. Chem. Phys. 150, 091101 (2019)]. The Journal of Chemical Physics. 150: 159902. PMID 31005118 DOI: 10.1063/1.5097690  0.658
2019 Hsu HP, Kremer K. A coarse-grained polymer model for studying the glass transition. The Journal of Chemical Physics. 150: 091101. PMID 30849869 DOI: 10.1063/1.5089417  0.73
2019 Smrek J, Kremer K, Rosa A. Threading of Unconcatenated Ring Polymers at High Concentrations: Double-Folded vs Time-Equilibrated Structures. Acs Macro Letters. 8: 155-160. PMID 30800531 DOI: 10.1021/Acsmacrolett.8B00828  0.363
2019 Greco C, Melnyk A, Kremer K, Andrienko D, Daoulas KC. Generic Model for Lamellar Self-Assembly in Conjugated Polymers: Linking Mesoscopic Morphology and Charge Transport in P3HT. Macromolecules. 52: 968-981. PMID 30792553 DOI: 10.1021/Acs.Macromol.8B01863  0.671
2019 Zhang G, Chazirakis A, Harmandaris VA, Stuehn T, Daoulas KC, Kremer K. Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution. Soft Matter. 15: 289-302. PMID 30543257 DOI: 10.1039/C8Sm01830H  0.779
2019 Chaimovich A, Kremer K, Peter C. Relative Resolution: A multipole approximation at appropriate distances Physical Review Research. 1. DOI: 10.1103/Physrevresearch.1.023034  0.825
2019 Mukherji D, Watson MD, Morsbach S, Schmutz M, Wagner M, Marques CM, Kremer K. Soft and Smart: Co-nonsolvency-Based Design of Multiresponsive Copolymers Macromolecules. 52: 3471-3478. DOI: 10.1021/Acs.Macromol.9B00414  0.626
2019 Guzman HV, Tretyakov N, Kobayashi H, Fogarty AC, Kreis K, Krajniak J, Junghans C, Kremer K, Stuehn T. ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation Computer Physics Communications. 238: 66-76. DOI: 10.1016/J.Cpc.2018.12.017  0.835
2018 Smrek J, Kremer K. Interfacial Properties of Active-Passive Polymer Mixtures. Entropy (Basel, Switzerland). 20. PMID 33265609 DOI: 10.3390/e20070520  0.373
2018 Heidari M, Kremer K, Potestio R, Cortes-Huerto R. Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method. Entropy (Basel, Switzerland). 20. PMID 33265313 DOI: 10.3390/e20040222  0.413
2018 Zhang J, Mukherji D, Kremer K, Daoulas KC. Studying polymer solutions with particle-based models linked to classical density functionals: co-non-solvency. Soft Matter. PMID 30403244 DOI: 10.1039/C8Sm01358F  0.63
2018 Hsu HP, Kremer K. Chain Retraction in Highly Entangled Stretched Polymer Melts. Physical Review Letters. 121: 167801. PMID 30387622 DOI: 10.1103/Physrevlett.121.167801  0.801
2018 Heidari M, Kremer K, Cortes-Huerto R, Potestio R. Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids. Journal of Chemical Theory and Computation. 14: 3409-3417. PMID 29874069 DOI: 10.1021/acs.jctc.8b00002  0.395
2018 Heidari M, Cortes-Huerto R, Kremer K, Potestio R. Concurrent coupling of realistic and ideal models of liquids and solids in Hamiltonian adaptive resolution simulations. The European Physical Journal. E, Soft Matter. 41: 64. PMID 29785645 DOI: 10.1140/Epje/I2018-11675-X  0.403
2018 Morsbach S, Gonella G, Mailänder V, Wegner S, Wu S, Weidner T, Berger R, Koynov K, Vollmer D, Encinas N, Kuan SL, Bereau T, Kremer K, Weil T, Bonn M, et al. Engineering Proteins at Interfaces: From Complementary Characterization to Material Surfaces with Designed Functions. Angewandte Chemie (International Ed. in English). PMID 29663610 DOI: 10.1002/Anie.201712448  0.776
2018 Ohkuma T, Kremer K, Daoulas K. Equilibrating high-molecular-weight symmetric and miscible polymer blends with hierarchical back-mapping. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 30: 174001. PMID 29537387 DOI: 10.1088/1361-648X/Aab684  0.51
2018 Hsu HP, Kremer K. Primitive Path Analysis and Stress Distribution in Highly Strained Macromolecules. Acs Macro Letters. 7: 107-111. PMID 29503762 DOI: 10.1021/Acsmacrolett.7B00808  0.818
2018 Smrek J, Kremer K. Interfacial Properties of Active-Passive Polymer Mixtures Entropy. 20: 520. DOI: 10.3390/E20070520  0.266
2018 Heidari M, Kremer K, Potestio R, Cortes-Huerto R. Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method Entropy. 20: 222. DOI: 10.3390/e20040222  0.266
2018 Heidari M, Kremer K, Potestio R, Cortes-Huerto R. Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations Molecular Physics. 116: 3301-3310. DOI: 10.1080/00268976.2018.1482429  0.266
2018 Abetz V, Kremer K, Müller M, Reiter G. Functional Macromolecular Systems: Kinetic Pathways to Obtain Tailored Structures Macromolecular Chemistry and Physics. 220: 1800334. DOI: 10.1002/MACP.201800334  0.266
2018 Morsbach S, Gonella G, Mailänder V, Wegner S, Wu S, Weidner T, Berger R, Koynov K, Vollmer D, Encinas N, Kuan SL, Bereau T, Kremer K, Weil T, Bonn M, et al. Engineering von Proteinen an Oberflächen: Von komplementärer Charakterisierung zu Materialoberflächen mit maßgeschneiderten Funktionen Angewandte Chemie. 130: 12806-12830. DOI: 10.1002/Ange.201712448  0.773
2018 Liu C, Kremer K, Bereau T. Polymorphism of Syndiotactic Polystyrene Crystals from Multiscale Simulations Advanced Theory and Simulations. 1: 1800024. DOI: 10.1002/Adts.201800024  0.697
2017 Guzman HV, Junghans C, Kremer K, Stuehn T. Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes. Physical Review. E. 96: 053311. PMID 29347684 DOI: 10.1103/Physreve.96.053311  0.823
2017 Kreis K, Kremer K, Potestio R, Tuckerman ME. From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics. The Journal of Chemical Physics. 147: 244104. PMID 29289131 DOI: 10.1063/1.5000701  0.617
2017 Mukherji D, Marques CM, Kremer K. Collapse in two good solvents, swelling in two poor solvents: defying the laws of polymer solubility? Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29165325 DOI: 10.1088/1361-648X/Aa9C77  0.651
2017 Mukherji D, Marques CM, Stuehn T, Kremer K. Depleted depletion drives polymer swelling in poor solvent mixtures. Nature Communications. 8: 1374. PMID 29123108 DOI: 10.1038/S41467-017-01520-5  0.666
2017 Mukherji D, Wagner M, Watson MD, Winzen S, de Oliveira TE, Marques CM, Kremer K. Reply to the 'Comment on "Relating side chain organization of PNIPAm with its conformation in aqueous methanol"' by A. Pica and G. Graziano, Soft Matter, 2017, 13, DOI: 10.1039/C7SM01065F. Soft Matter. PMID 29057420 DOI: 10.1039/C7Sm01880K  0.739
2017 Menichetti R, Kanekal KH, Kremer K, Bereau T. In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force. The Journal of Chemical Physics. 147: 125101. PMID 28964031 DOI: 10.1063/1.4987012  0.705
2017 Mukherjee B, Peter C, Kremer K. Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scales. The Journal of Chemical Physics. 147: 114501. PMID 28938812 DOI: 10.1063/1.5001482  0.822
2017 Menichetti R, Kremer K, Bereau T. Efficient potential of mean force calculation from multiscale simulations: Solute insertion in a lipid membrane. Biochemical and Biophysical Research Communications. PMID 28870809 DOI: 10.1016/J.Bbrc.2017.08.095  0.712
2017 De Silva CC, Leophairatana P, Ohkuma T, Koberstein JT, Kremer K, Mukherji D. Sequence transferable coarse-grained model of amphiphilic copolymers. The Journal of Chemical Physics. 147: 064904. PMID 28810779 DOI: 10.1063/1.4997638  0.809
2017 Fiorentini R, Kremer K, Potestio R, Fogarty AC. Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues. The Journal of Chemical Physics. 146: 244113. PMID 28668024 DOI: 10.1063/1.4989486  0.406
2017 Smrek J, Kremer K. Small Activity Differences Drive Phase Separation in Active-Passive Polymer Mixtures. Physical Review Letters. 118: 098002. PMID 28306285 DOI: 10.1103/Physrevlett.118.098002  0.385
2017 Mukherji D, Wagner M, Watson MD, Winzen S, de Oliveira TE, Marques CM, Kremer K. Reply to the 'Comment on "Relating side chain organization of PNIPAm with its conformation in aqueous methanol"' by N. van der Vegt and F. Rodriguez-Ropero, Soft Matter, 2017, 13, DOI: 10.1039/C6SM02139E. Soft Matter. PMID 28261730 DOI: 10.1039/C7Sm00041C  0.789
2017 Radu M, Kremer K. Enhanced Crystal Growth in Binary Lennard-Jones Mixtures. Physical Review Letters. 118: 055702. PMID 28211741 DOI: 10.1103/Physrevlett.118.055702  0.332
2017 Fogarty AC, Potestio R, Kremer K. Erratum: "Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties" [J. Chem. Phys. 142, 195101 (2015)]. The Journal of Chemical Physics. 146: 049901. PMID 28147532 DOI: 10.1063/1.4975169  0.266
2017 de Oliveira TE, Mukherji D, Kremer K, Netz PA. Effects of stereochemistry and copolymerization on the LCST of PNIPAm. The Journal of Chemical Physics. 146: 034904. PMID 28109225 DOI: 10.1063/1.4974165  0.441
2017 Hsu H, Kremer K. Detailed analysis of Rouse mode and dynamic scattering function of highly entangled polymer melts in equilibrium European Physical Journal-Special Topics. 226: 693-703. DOI: 10.1140/Epjst/E2016-60322-5  0.367
2017 Mukherji D, Kremer K. How does poly(N-isopropylacrylamide) trigger phase separation in aqueous alcohol? Polymer Science, Series C. 59: 119-124. DOI: 10.1134/S181123821701009X  0.264
2017 Backes S, Krause P, Tabaka W, Witt MU, Mukherji D, Kremer K, von Klitzing R. Poly(N-isopropylacrylamide) Microgels under Alcoholic Intoxication: When a LCST Polymer Shows Swelling with Increasing Temperature Acs Macro Letters. 6: 1042-1046. DOI: 10.1021/Acsmacrolett.7B00557  0.411
2017 Riegger A, Chen C, Zirafi O, Daiss N, Mukherji D, Walter K, Tokura Y, Stöckle B, Kremer K, Kirchhoff F, Yuen Wah Ng D, Christian Hermann P, Münch J, Weil T. Synthesis of Peptide-Functionalized Poly(bis-sulfone) Copolymers Regulating HIV-1 Entry and Cancer Stem Cell Migration Acs Macro Letters. 6: 241-246. DOI: 10.1021/Acsmacrolett.7B00030  0.701
2017 Ohkuma T, Kremer K. Comparison of two coarse-grained models of cis -polyisoprene with and without pressure correction Polymer. 130: 88-101. DOI: 10.1016/J.Polymer.2017.09.062  0.43
2017 Menichetti R, Kanekal K, Kremer K, Bereau T. High-Throughput Thermodynamics of Drug-Membrane Interactions from Multiscale Simulations Biophysical Journal. 112: 140a. DOI: 10.1016/J.Bpj.2016.11.773  0.692
2017 Rudzinski JF, Kremer K, Bereau T. Characterization of Coarse-Grained Helix-Coil Transition Kinetics using Markov State Models Biophysical Journal. 112: 194a. DOI: 10.1016/J.Bpj.2016.11.1074  0.692
2017 Spiegel S, Kremer K, Zifferer G, Olaj OF. 25 Years of Macromolecular Theory and Simulations Macromolecular Theory and Simulations. 26: 1600096. DOI: 10.1002/Mats.201600096  0.266
2016 Netz PA, Potestio R, Kremer K. Adaptive resolution simulation of oligonucleotides. The Journal of Chemical Physics. 145: 234101. PMID 27984862 DOI: 10.1063/1.4972014  0.389
2016 Greco C, Jiang Y, Chen JZ, Kremer K, Daoulas KC. Maier-Saupe model of polymer nematics: Comparing free energies calculated with Self Consistent Field theory and Monte Carlo simulations. The Journal of Chemical Physics. 145: 184901. PMID 27846703 DOI: 10.1063/1.4966919  0.636
2016 Cortes-Huerto R, Kremer K, Potestio R. Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations Journal of Chemical Physics. 145: 141103-141103. PMID 27782513 DOI: 10.1063/1.4964779  0.431
2016 Fogarty AC, Potestio R, Kremer K. A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site. Proteins. 84: 1902-1913. PMID 27699855 DOI: 10.1002/Prot.25173  0.377
2016 Xiao S, Peter C, Kremer K. Systematic comparison of model polymer nanocomposite mechanics. Bioinspiration & Biomimetics. 11: 055008. PMID 27623170 DOI: 10.1088/1748-3190/11/5/055008  0.809
2016 Mukherji D, Wagner M, Watson MD, Winzen S, de Oliveira TE, Marques CM, Kremer K. Relating side chain organization of PNIPAm with its conformation in aqueous methanol. Soft Matter. PMID 27605060 DOI: 10.1039/C6Sm01789D  0.781
2016 Hsu HP, Kremer K. Static and dynamic properties of large polymer melts in equilibrium. The Journal of Chemical Physics. 144: 154907. PMID 27389240 DOI: 10.1063/1.4946033  0.836
2016 Kreis K, Potestio R, Kremer K, Fogarty AC. Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions. Journal of Chemical Theory and Computation. 12: 4067-81. PMID 27384753 DOI: 10.1021/Acs.Jctc.6B00440  0.429
2016 Kreis K, Tuckerman ME, Donadio D, Kremer K, Potestio R. From classical to quantum and back: A Hamiltonian scheme for adaptive multi-resolution classical/path integral simulations. Journal of Chemical Theory and Computation. PMID 27214610 DOI: 10.1021/Acs.Jctc.6B00242  0.697
2016 de Oliveira TE, Netz PA, Kremer K, Junghans C, Mukherji D. C-IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids. The Journal of Chemical Physics. 144: 174106. PMID 27155624 DOI: 10.1063/1.4947253  0.8
2016 Bereau T, Kremer K. Protein-Backbone Thermodynamics across the Membrane Interface. The Journal of Physical Chemistry. B. PMID 27138459 DOI: 10.1021/Acs.Jpcb.6B03682  0.7
2016 Rudzinski JF, Kremer K, Bereau T. Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information. The Journal of Chemical Physics. 144: 051102. PMID 26851901 DOI: 10.1063/1.4941455  0.724
2016 Español P, Delgado-Buscalioni R, Everaers R, Potestio R, Donadio D, Kremer K. Statistical mechanics of Hamiltonian adaptive resolution simulations. The Journal of Chemical Physics. 142: 064115. PMID 25681895 DOI: 10.1063/1.4907006  0.727
2016 Hsu HP, Kremer K. Static and dynamic properties of large polymer melts in equilibrium Journal of Chemical Physics. 144. DOI: 10.1063/1.4946033  0.804
2016 Bereau T, Andrienko D, Kremer K. Research Update: Computational materials discovery in soft matter Apl Materials. 4. DOI: 10.1063/1.4943287  0.755
2016 Rudzinski JF, Kremer K, Bereau T. Improved Kinetics of Molecular Simulations using Biased Markov State Models Biophysical Journal. 110: 523a. DOI: 10.1016/J.Bpj.2015.11.2800  0.72
2015 Chaimovich A, Peter C, Kremer K. Relative resolution: A hybrid formalism for fluid mixtures. The Journal of Chemical Physics. 143: 243107. PMID 26723592 DOI: 10.1063/1.4929834  0.806
2015 Bereau T, Kremer K. Automated parametrization of the coarse-grained Martini force field for small organic molecules. Journal of Chemical Theory and Computation. 11: 2783-91. PMID 26575571 DOI: 10.1021/Acs.Jctc.5B00056  0.683
2015 de Oliveira TE, Netz PA, Mukherji D, Kremer K. Why does high pressure destroy co-non-solvency of PNIPAm in aqueous methanol? Soft Matter. 11: 8599-604. PMID 26381828 DOI: 10.1039/C5Sm01772F  0.4
2015 Debnath A, Wiegand S, Paulsen H, Kremer K, Peter C. Derivation of coarse-grained simulation models of chlorophyll molecules in lipid bilayers for applications in light harvesting systems. Physical Chemistry Chemical Physics : Pccp. 17: 22054-63. PMID 26235608 DOI: 10.1039/C5Cp01140J  0.802
2015 Zhang G, Stuehn T, Daoulas KCh, Kremer K. Communication: One size fits all: Equilibrating chemically different polymer liquids through universal long-wavelength description. The Journal of Chemical Physics. 142: 221102. PMID 26071694 DOI: 10.1063/1.4922538  0.636
2015 Fogarty AC, Potestio R, Kremer K. Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties. The Journal of Chemical Physics. 142: 195101. PMID 26001481 DOI: 10.1063/1.4921347  0.441
2015 Mukherji D, Marques CM, Stuehn T, Kremer K. Co-non-solvency: mean-field polymer theory does not describe polymer collapse transition in a mixture of two competing good solvents. The Journal of Chemical Physics. 142: 114903. PMID 25796262 DOI: 10.1063/1.4914870  0.421
2015 Gemünden P, Poelking C, Kremer K, Daoulas K, Andrienko D. Effect of mesoscale ordering on the density of States of polymeric semiconductors. Macromolecular Rapid Communications. 36: 1047-53. PMID 25757441 DOI: 10.1002/Marc.201400725  0.655
2015 Kreis K, Fogarty AC, Kremer K, Potestio R. Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations The European Physical Journal Special Topics. 224: 2505-2506. DOI: 10.1140/Epjst/E2015-02533-5  0.252
2015 Kreis K, Fogarty AC, Kremer K, Potestio R. Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations European Physical Journal-Special Topics. 224: 2289-2304. DOI: 10.1140/Epjst/E2015-02412-1  0.396
2015 Koschke K, Limbach HJ, Kremer K, Donadio D. Freezing point depression in model Lennard-Jones solutions Molecular Physics. 113: 2725-2734. DOI: 10.1080/00268976.2015.1029029  0.626
2015 Moreira LA, Zhang G, Müller F, Stuehn T, Kremer K. Direct Equilibration and Characterization of Polymer Melts for Computer Simulations Macromolecular Theory and Simulations. DOI: 10.1002/Mats.201500013  0.784
2015 Gemünden P, Poelking C, Kremer K, Daoulas K, Andrienko D. Macromol. Rapid Commun. 11/2015 Macromolecular Rapid Communications. 36: 1140-1140. DOI: 10.1002/Marc.201570046  0.557
2014 Fritsch S, Potestio R, Donadio D, Kremer K. Nuclear Quantum Effects in Water: A Multiscale Study. Journal of Chemical Theory and Computation. 10: 816-24. PMID 26580055 DOI: 10.1021/Ct4010504  0.643
2014 Mukherji D, Marques CM, Kremer K. Polymer collapse in miscible good solvents is a generic phenomenon driven by preferential adsorption. Nature Communications. 5: 4882. PMID 25216245 DOI: 10.1038/Ncomms5882  0.417
2014 Halverson JD, Smrek J, Kremer K, Grosberg AY. From a melt of rings to chromosome territories: The role of topological constraints in genome folding Reports On Progress in Physics. 77. PMID 24472896 DOI: 10.1088/0034-4885/77/2/022601  0.802
2014 Potestio R, Peter C, Kremer K. Computer Simulations of Soft Matter: Linking the Scales Entropy. 16: 4199-4245. DOI: 10.3390/E16084199  0.825
2014 Kreis K, Donadio D, Kremer K, Potestio R. A unified framework for force-based and energy-based adaptive resolution simulations Epl (Europhysics Letters). 108: 30007. DOI: 10.1209/0295-5075/108/30007  0.628
2014 Zhang G, Moreira LA, Stuehn T, Daoulas KC, Kremer K. Equilibration of high molecular weight polymer melts: A hierarchical strategy Acs Macro Letters. 3: 198-203. DOI: 10.1021/Mz5000015  0.754
2014 Butt HJ, Duran H, Egger W, Faupel F, Harmandaris V, Harms S, Johnston K, Kremer K, Lin FY, Lue L, Ohrt C, Raetzke K, Ravelli L, Steffen W, Vianna SDB. Interphase of a Polymer at a Solid Interface Macromolecules. 47: 8459-8465. DOI: 10.1021/Ma501747J  0.808
2013 Halverson JD, Lee WB, Grest GS, Grosberg AY, Kremer K. Response to "Comment on 'Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. I. Statics"' [J. Chem. Phys. 139, 217101 (2013)]. The Journal of Chemical Physics. 139: 217102. PMID 24320406 DOI: 10.1063/1.4833175  0.775
2013 Potestio R, Español P, Delgado-Buscalioni R, Everaers R, Kremer K, Donadio D. Monte carlo adaptive resolution simulation of multicomponent molecular liquids. Physical Review Letters. 111: 060601. PMID 23971545 DOI: 10.1103/Physrevlett.111.060601  0.782
2013 Mukherjee B, Peter C, Kremer K. Dual translocation pathways in smectic liquid crystals facilitated by molecular flexibility. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 88: 010502. PMID 23944395 DOI: 10.1103/Physreve.88.010502  0.797
2013 Harmandaris VA, Kremer K, Floudas G. Dynamic heterogeneity in fully miscible blends of polystyrene with oligostyrene. Physical Review Letters. 110: 165701. PMID 23679622 DOI: 10.1103/Physrevlett.110.165701  0.755
2013 Potestio R, Fritsch S, Español P, Delgado-Buscalioni R, Kremer K, Everaers R, Donadio D. Hamiltonian adaptive resolution simulation for molecular liquids. Physical Review Letters. 110: 108301. PMID 23521306 DOI: 10.1103/Physrevlett.110.108301  0.787
2013 Halverson JD, Kremer K, Grosberg AY. Comparing the results of lattice and off-lattice simulations for the melt of nonconcatenated rings Journal of Physics a: Mathematical and Theoretical. 46. DOI: 10.1088/1751-8113/46/6/065002  0.791
2013 Bevc S, Junghans C, Kremer K, Praprotnik M. Adaptive resolution simulation of salt solutions New Journal of Physics. 15: 105007. DOI: 10.1088/1367-2630/15/10/105007  0.809
2013 Halverson JD, Lee WB, Grest GS, Grosberg AY, Kremer K. Response to "comment on 'Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. I. Statics"' Journal of Chemical Physics. 139. DOI: 10.1063/1.4833175  0.755
2013 Mukherji D, Kremer K. Coil–Globule–Coil Transition of PNIPAm in Aqueous Methanol: Coupling All-Atom Simulations to Semi-Grand Canonical Coarse-Grained Reservoir Macromolecules. 46: 9158-9163. DOI: 10.1021/Ma401877C  0.395
2013 Gemünden P, Poelking C, Kremer K, Andrienko D, Daoulas KC. Nematic Ordering, Conjugation, and Density of States of Soluble Polymeric Semiconductors Macromolecules. 46: 5762-5774. DOI: 10.1021/Ma400646A  0.657
2013 Poelking C, Cho E, Malafeev A, Ivanov V, Kremer K, Risko C, Brédas JL, Andrienko D. Characterization of charge-carrier transport in semicrystalline polymers: Electronic couplings, site energies, and charge-carrier dynamics in poly(bithiophene-alt-thienothiophene) [PBTTT] Journal of Physical Chemistry C. 117: 1633-1640. DOI: 10.1021/Jp311160Y  0.802
2013 Halverson JD, Brandes T, Lenz O, Arnold A, Bevc S, Starchenko V, Kremer K, Stuehn T, Reith D. ESPResSo++: A modern multiscale simulation package for soft matter systems Computer Physics Communications. 184: 1129-1149. DOI: 10.1016/J.Cpc.2012.12.004  0.709
2013 Zhang G, Daoulas KC, Kremer K. Macromol. Chem. Phys. 2/2013 Macromolecular Chemistry and Physics. 214: 296-296. DOI: 10.1002/Macp.201370005  0.266
2012 Fritsch S, Junghans C, Kremer K. Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS. Journal of Chemical Theory and Computation. 8: 398-403. PMID 26596591 DOI: 10.1021/Ct200706F  0.814
2012 Mukherji D, van der Vegt NF, Kremer K, Delle Site L. Kirkwood-Buff Analysis of Liquid Mixtures in an Open Boundary Simulation. Journal of Chemical Theory and Computation. 8: 375-9. PMID 26596589 DOI: 10.1021/Ct200709H  0.446
2012 Mukherji D, van der Vegt NF, Kremer K. Preferential Solvation of Triglycine in Aqueous Urea: An Open Boundary Simulation Approach. Journal of Chemical Theory and Computation. 8: 3536-41. PMID 26593001 DOI: 10.1021/Ct300253N  0.39
2012 Jochum M, Andrienko D, Kremer K, Peter C. Structure-based coarse-graining in liquid slabs. The Journal of Chemical Physics. 137: 064102. PMID 22897250 DOI: 10.1063/1.4742067  0.807
2012 Daoulas KCh, Rühle V, Kremer K. Simulations of nematic homopolymer melts using particle-based models with interactions expressed through collective variables. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 284121. PMID 22738833 DOI: 10.1088/0953-8984/24/28/284121  0.466
2012 Fritsch S, Poblete S, Junghans C, Ciccotti G, Delle Site L, Kremer K. Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir. Physical Review Letters. 108: 170602. PMID 22680848 DOI: 10.1103/Physrevlett.108.170602  0.776
2012 Lu X, Hlaing H, Germack DS, Peet J, Jo WH, Andrienko D, Kremer K, Ocko BM. Bilayer order in a polycarbazole-conjugated polymer. Nature Communications. 3: 795. PMID 22531180 DOI: 10.1038/Ncomms1790  0.803
2012 Mukherjee B, Delle Site L, Kremer K, Peter C. Derivation of coarse grained models for multiscale simulation of liquid crystalline phase transitions. The Journal of Physical Chemistry. B. 116: 8474-84. PMID 22475134 DOI: 10.1021/Jp212300D  0.823
2012 Halverson JD, Grest GS, Grosberg AY, Kremer K. Rheology of ring polymer melts: from linear contaminants to ring-linear blends. Physical Review Letters. 108: 038301. PMID 22400790 DOI: 10.1103/Physrevlett.108.038301  0.812
2012 Bezkorovaynaya O, Lukyanov A, Kremer K, Peter C. Multiscale simulation of small peptides: consistent conformational sampling in atomistic and coarse-grained models. Journal of Computational Chemistry. 33: 937-49. PMID 22298285 DOI: 10.1002/Jcc.22915  0.796
2012 Halverson JD, Grest GS, Grosberg AY, Kremer K. Rheology of ring polymer melts: From linear contaminants to ring-linear blends Physical Review Letters. 108. DOI: 10.1103/PhysRevLett.108.038301  0.717
2012 Zhang G, Daoulas KC, Kremer K. A New Coarse Grained Particle-To-Mesh Scheme for Modeling Soft Matter Macromolecular Chemistry and Physics. 214: 214-224. DOI: 10.1002/Macp.201200520  0.47
2011 Praprotnik M, Poblete S, Delle Site L, Kremer K. Comment on "Adaptive multiscale molecular dynamics of macromolecular fluids". Physical Review Letters. 107: 099801; discussion 0. PMID 21929276 DOI: 10.1103/Physrevlett.107.099801  0.266
2011 Halverson JD, Lee WB, Grest GS, Grosberg AY, Kremer K. Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. II. Dynamics. The Journal of Chemical Physics. 134: 204905. PMID 21639475 DOI: 10.1063/1.3587138  0.816
2011 Halverson JD, Lee WB, Grest GS, Grosberg AY, Kremer K. Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. I. Statics. The Journal of Chemical Physics. 134: 204904. PMID 21639474 DOI: 10.1063/1.3587137  0.818
2011 Fritz D, Koschke K, Harmandaris VA, van der Vegt NF, Kremer K. Multiscale modeling of soft matter: scaling of dynamics. Physical Chemistry Chemical Physics : Pccp. 13: 10412-20. PMID 21468407 DOI: 10.1039/C1Cp20247B  0.703
2011 Böckmann M, Marx D, Peter C, Site LD, Kremer K, Doltsinis NL. Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond. Physical Chemistry Chemical Physics : Pccp. 13: 7604-21. PMID 21267491 DOI: 10.1039/C0Cp01661F  0.828
2011 Halverson JD, Lee WB, Grest GS, Grosberg AY, Kremer K. Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. I. Statics Journal of Chemical Physics. 134. DOI: 10.1063/1.3587137  0.755
2011 Johnston K, Nieminen RM, Kremer K. A hierarchical dualscale study of bisphenol-A-polycarbonate on a silicon surface: Structure, dynamics and impurity diffusion Soft Matter. 7: 6457-6466. DOI: 10.1039/C1Sm05410D  0.533
2011 Harmandaris VA, Floudas G, Kremer K. Temperature and Pressure Dependence of Polystyrene Dynamics through Molecular Dynamics Simulations and Experiments Macromolecules. 44: 393-402. DOI: 10.1021/Ma102179B  0.747
2011 Praprotnik M, Poblete S, Kremer K. Statistical Physics Problems in Adaptive Resolution Computer Simulations of Complex Fluids Journal of Statistical Physics. 145: 946-966. DOI: 10.1007/S10955-011-0312-X  0.462
2011 Mann BAF, Kremer K, Lenz O, Holm C. Macromol. Theory Simul. 8/2011 Macromolecular Theory and Simulations. 20: n/a-n/a. DOI: 10.1002/Mats.201190016  0.616
2011 Spiegel S, Kremer K, Khokhlov AR, Tobita H. Happy birthday, macromolecular theory and simulations! Macromolecular Theory and Simulations. 20: 597-599. DOI: 10.1002/Mats.201100082  0.57
2011 Cerdà JJ, Holm C, Kremer K. Novel Simulation Approaches for Polymeric and Soft Matter Systems Macromolecular Theory and Simulations. 20: 444-445. DOI: 10.1002/Mats.201100072  0.616
2011 Mann BAF, Kremer K, Lenz O, Holm C. Hydrogels in Poor Solvents: A Molecular Dynamics Study Macromolecular Theory and Simulations. 20: 721-734. DOI: 10.1002/Mats.201100050  0.605
2010 Lambeth BP, Junghans C, Kremer K, Clementi C, Delle Site L. Communication: On the locality of hydrogen bond networks at hydrophobic interfaces. The Journal of Chemical Physics. 133: 221101. PMID 21171675 DOI: 10.1063/1.3522773  0.787
2010 Poblete S, Praprotnik M, Kremer K, Delle Site L. Coupling different levels of resolution in molecular simulations. The Journal of Chemical Physics. 132: 114101. PMID 20331275 DOI: 10.1063/1.3357982  0.42
2010 Stueber D, Yu TY, Hess B, Kremer K, O'Connor RD, Schaefer J. Chain packing in polycarbonate glasses. The Journal of Chemical Physics. 132: 104901. PMID 20232984 DOI: 10.1063/1.3330412  0.783
2010 Peter C, Kremer K. Multiscale simulation of soft matter systems. Faraday Discussions. 144: 9-24. PMID 20158020 DOI: 10.1039/B919800H  0.788
2010 Lukyanov A, Malafeev A, Ivanov V, Chen H, Kremer K, Andrienko D. Solvated poly-(phenylene vinylene) derivatives: conformational structure and aggregation behavior Journal of Materials Chemistry. 20: 10475. DOI: 10.1039/C0Jm01654C  0.681
2010 Vettorel T, Besold G, Kremer K. Fluctuating soft-sphere approach to coarse-graining of polymer models Soft Matter. 6: 2282. DOI: 10.1039/B921159D  0.518
2010 Lee WB, Halverson J, Kremer K. Reply to Comment on "Entangled polymer melts: Relation between plateau modulus and stress autocorrelation function" Macromolecules. 43: 3984-3985. DOI: 10.1021/Ma1004502  0.776
2010 Vettorel T, Kremer K. Macromol. Theory Simul. 1/2010 Macromolecular Theory and Simulations. 19: NA-NA. DOI: 10.1002/Mats.201090001  0.266
2010 Vettorel T, Kremer K. Development of Entanglements in a Fully Disentangled Polymer Melt Macromolecular Theory and Simulations. 19: 44-56. DOI: 10.1002/Mats.200900065  0.392
2009 Rühle V, Junghans C, Lukyanov A, Kremer K, Andrienko D. Versatile Object-Oriented Toolkit for Coarse-Graining Applications. Journal of Chemical Theory and Computation. 5: 3211-23. PMID 26602505 DOI: 10.1021/Ct900369W  0.816
2009 Vettorel T, Reigh SY, Yoon DY, Kremer K. Monte-carlo method for simulations of ring polymers in the melt. Macromolecular Rapid Communications. 30: 345-51. PMID 21706610 DOI: 10.1002/Marc.200800627  0.63
2009 Delgado-Buscalioni R, Kremer K, Praprotnik M. Coupling atomistic and continuum hydrodynamics through a mesoscopic model: application to liquid water. The Journal of Chemical Physics. 131: 244107. PMID 20059054 DOI: 10.1063/1.3272265  0.415
2009 Claudio GC, Kremer K, Holm C. Comparison of a hydrogel model to the Poisson-Boltzmann cell model. The Journal of Chemical Physics. 131: 094903. PMID 19739869 DOI: 10.1063/1.3207275  0.801
2009 Vettorel T, Grosberg AY, Kremer K. Statistics of polymer rings in the melt: A numerical simulation study Physical Biology. 6. PMID 19571364 DOI: 10.1088/1478-3975/6/2/025013  0.653
2009 Feng X, Marcon V, Pisula W, Hansen MR, Kirkpatrick J, Grozema F, Andrienko D, Kremer K, Müllen K. Towards high charge-carrier mobilities by rational design of the shape and periphery of discotics. Nature Materials. 8: 421-6. PMID 19363476 DOI: 10.1038/Nmat2427  0.801
2009 Wang H, Junghans C, Kremer K. Comparative atomistic and coarse-grained study of water: what do we lose by coarse-graining? The European Physical Journal. E, Soft Matter. 28: 221-9. PMID 19198906 DOI: 10.1140/Epje/I2008-10413-5  0.811
2009 Peter C, Kremer K. Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back Soft Matter. 5: 4357. DOI: 10.1039/B912027K  0.835
2009 Fritz D, Herbers CR, Kremer K, van der Vegt NFA. Hierarchical modeling of polymer permeation Soft Matter. 5: 4556. DOI: 10.1039/B911713J  0.746
2009 Harmandaris VA, Kremer K. Predicting polymer dynamics at multiple length and time scales Soft Matter. 5: 3920. DOI: 10.1039/B905361A  0.731
2009 Feng X, Marcon V, Pisula W, Hansen MR, Kirkpatrick J, Grozema F, Andrienko D, Kremer K, Müllen K. Towards high charge-carrier mobilities by rational design of the shape and periphery of discotics Nature Materials. 8: 421-426. DOI: 10.1038/nmat2427  0.769
2009 Fritz D, Harmandaris VA, Kremer K, van der Vegt NFA. Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities Macromolecules. 42: 7579-7588. DOI: 10.1021/Ma901242H  0.808
2009 Lee WB, Kremer K. Entangled Polymer Melts: Relation between Plateau Modulus and Stress Autocorrelation Function Macromolecules. 42: 6270-6276. DOI: 10.1021/Ma9008498  0.627
2009 Cherdhirankorn T, Harmandaris V, Juhari A, Voudouris P, Fytas G, Kremer K, Koynov K. Fluorescence Correlation Spectroscopy Study of Molecular Probe Diffusion in Polymer Melts Macromolecules. 42: 4858-4866. DOI: 10.1021/Ma900605Z  0.74
2009 Harmandaris VA, Kremer K. Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations Macromolecules. 42: 791-802. DOI: 10.1021/Ma8018624  0.729
2009 Mulder T, Harmandaris VA, Lyulin AV, van der Vegt NFA, Kremer K, Michels MAJ. Structural Properties of Atactic Polystyrene of Different Thermal History Obtained from a Multiscale Simulation Macromolecules. 42: 384-391. DOI: 10.1021/Ma800873Z  0.699
2008 Kirkpatrick J, Marcon V, Kremer K, Nelson J, Andrienko D. Columnar mesophases of hexabenzocoronene derivatives. II. Charge carrier mobility. The Journal of Chemical Physics. 129: 094506. PMID 19044876 DOI: 10.1063/1.2969764  0.749
2008 Marcon V, Vehoff T, Kirkpatrick J, Jeong C, Yoon DY, Kremer K, Andrienko D. Columnar mesophases of hexabenzocoronene derivatives. I. Phase transitions. The Journal of Chemical Physics. 129: 094505. PMID 19044875 DOI: 10.1063/1.2969763  0.746
2008 Delgado-Buscalioni R, Kremer K, Praprotnik M. Concurrent triple-scale simulation of molecular liquids. The Journal of Chemical Physics. 128: 114110. PMID 18361557 DOI: 10.1063/1.2890729  0.434
2008 Matysiak S, Clementi C, Praprotnik M, Kremer K, Delle Site L. Modeling diffusive dynamics in adaptive resolution simulation of liquid water. The Journal of Chemical Physics. 128: 024503. PMID 18205455 DOI: 10.1063/1.2819486  0.805
2008 Praprotnik M, Site LD, Kremer K. Multiscale simulation of soft matter: from scale bridging to adaptive resolution. Annual Review of Physical Chemistry. 59: 545-71. PMID 18062769 DOI: 10.1146/Annurev.Physchem.59.032607.093707  0.443
2008 Kremer K. Simulation studies of soft matter: generic statistical properties and chemical details The European Physical Journal B. 64: 525-529. DOI: 10.1140/Epjb/E2008-00024-2  0.483
2008 Praprotnik M, Junghans C, Delle Site L, Kremer K. Simulation approaches to soft matter: Generic statistical properties vs. chemical details Computer Physics Communications. 179: 51-60. DOI: 10.1016/J.Cpc.2008.01.018  0.841
2008 Kirkpatrick J, Marcon V, Kremer K, Nelson J, Andrienko D. Charge transport parameters of HBC at different temperatures Physica Status Solidi (B). 245: 835-838. DOI: 10.1002/Pssb.200743487  0.675
2008 Vehoff T, Kirkpatrick J, Kremer K, Andrienko D. Atomistic force field and electronic properties of carbazole: from monomer to macrocycle Physica Status Solidi (B). 245: 839-843. DOI: 10.1002/Pssb.200743450  0.603
2008 Rühle V, Kirkpatrick J, Kremer K, Andrienko D. Coarse-grained modelling of polypyrrole morphologies Physica Status Solidi (B). 245: 844-848. DOI: 10.1002/Pssb.200743443  0.681
2008 Andrienko D, Kirkpatrick J, Marcon V, Nelson J, Kremer K. Structure–charge mobility relation for hexabenzocoronene derivatives Physica Status Solidi (B). 245: 830-834. DOI: 10.1002/Pssb.200743435  0.719
2007 Böckmann M, Peter C, Site LD, Doltsinis NL, Kremer K, Marx D. Atomistic Force Field for Azobenzene Compounds Adapted for QM/MM Simulations with Applications to Liquids and Liquid Crystals. Journal of Chemical Theory and Computation. 3: 1789-802. PMID 26627622 DOI: 10.1021/Ct7000733  0.817
2007 Guo H, Kremer K. Kinetics of the shear-induced isotropic-to-lamellar transition of an amphiphilic model system: a nonequilibrium molecular dynamics simulation study. The Journal of Chemical Physics. 127: 054902. PMID 17688359 DOI: 10.1063/1.2752158  0.314
2007 Kirkpatrick J, Marcon V, Nelson J, Kremer K, Andrienko D. Charge mobility of discotic mesophases: a multiscale quantum and classical study. Physical Review Letters. 98: 227402. PMID 17677877 DOI: 10.1103/Physrevlett.98.227402  0.812
2007 Reynwar BJ, Illya G, Harmandaris VA, Müller MM, Kremer K, Deserno M. Aggregation and vesiculation of membrane proteins by curvature-mediated interactions. Nature. 447: 461-4. PMID 17522680 DOI: 10.1038/Nature05840  0.777
2007 Praprotnik M, Delle Site L, Kremer K. A macromolecule in a solvent: adaptive resolution molecular dynamics simulation. The Journal of Chemical Physics. 126: 134902. PMID 17430062 DOI: 10.1063/1.2714540  0.447
2007 Praprotnik M, Kremer K, Delle Site L. Adaptive molecular resolution via a continuous change of the phase space dimensionality. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 75: 017701. PMID 17358296 DOI: 10.1103/Physreve.75.017701  0.444
2007 Praprotnik M, Kremer K, Site LD. Fractional dimensions of phase space variables: a tool for varying the degrees of freedom of a system in a multiscale treatment Journal of Physics a: Mathematical and Theoretical. 40: F281-F288. DOI: 10.1088/1751-8113/40/15/F03  0.397
2007 Praprotnik M, Matysiak S, Site LD, Kremer K, Clementi C. Adaptive resolution simulation of liquid water Journal of Physics: Condensed Matter. 19: 292201. DOI: 10.1088/0953-8984/19/29/292201  0.794
2007 Harmandaris VA, Adhikari NP, van der Vegt NFA, Kremer K, Mann BA, Voelkel R, Weiss H, Liew C. Ethylbenzene Diffusion in Polystyrene:  United Atom Atomistic/Coarse Grained Simulations and Experiments Macromolecules. 40: 7026-7035. DOI: 10.1021/Ma070201O  0.822
2007 Kremer K. Dynamics of entangled polymer melts in two and three dimensions Journal of Polymer Science: Polymer Symposia. 73: 157-160. DOI: 10.1002/POLC.5070730120  0.266
2007 Harmandaris VA, Reith D, van der Vegt NFA, Kremer K. Comparison Between Coarse-Graining Models for Polymer Systems: Two Mapping Schemes for Polystyrene Macromolecular Chemistry and Physics. 208: 2109-2120. DOI: 10.1002/Macp.200700245  0.818
2006 Hess B, León S, van der Vegt N, Kremer K. Long time atomistic polymer trajectories from coarse grained simulations: bisphenol-A polycarbonate. Soft Matter. 2: 409-414. PMID 32680255 DOI: 10.1039/B602076C  0.431
2006 Zhou X, Jiang Y, Kremer K, Ziock H, Rasmussen S. Hyperdynamics for entropic systems: time-space compression and pair correlation function approximation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 74: 035701. PMID 17025700 DOI: 10.1103/Physreve.74.035701  0.654
2006 Andrienko D, Marcon V, Kremer K. Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives. The Journal of Chemical Physics. 125: 124902. PMID 17014203 DOI: 10.1063/1.2354156  0.652
2006 Praprotnik M, Delle Site L, Kremer K. Adaptive resolution scheme for efficient hybrid atomistic-mesoscale molecular dynamics simulations of dense liquids. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 73: 066701. PMID 16907017 DOI: 10.1103/Physreve.73.066701  0.444
2006 Srivastava V, Kremer K. Self-avoiding random walks and the two-dimensional localization theorem Physical Review B. 73. DOI: 10.1103/Physrevb.73.033404  0.25
2006 Harmandaris VA, Adhikari NP, van der Vegt NFA, Kremer K. Hierarchical Modeling of Polystyrene: From Atomistic to Coarse-Grained Simulations Macromolecules. 39: 6708-6719. DOI: 10.1021/Ma0606399  0.833
2006 Limbach HJ, Kremer K. Multi-scale modelling of polymers: Perspectives for food materials Trends in Food Science & Technology. 17: 215-219. DOI: 10.1016/J.Tifs.2005.11.001  0.442
2006 Kremer K. Polymer dynamics: long time simulations and topological constraints Brazilian Journal of Physics. 36: 341-378. DOI: 10.1007/3-540-35284-8_14  0.463
2006 Mann BA, Kremer K, Holm C. Cover Picture: Macromol. Symp. 237/2006 Macromolecular Symposia. 237: NA-NA. DOI: 10.1002/Masy.200690077  0.616
2006 Mann BA, Kremer K, Holm C. The Swelling Behavior of Charged Hydrogels Macromolecular Symposia. 237: 90-107. DOI: 10.1002/Masy.200650511  0.69
2005 Praprotnik M, Delle Site L, Kremer K. Adaptive resolution molecular-dynamics simulation: changing the degrees of freedom on the fly. The Journal of Chemical Physics. 123: 224106. PMID 16375469 DOI: 10.1063/1.2132286  0.401
2005 Zhou X, Andrienko D, Delle Site L, Kremer K. Flow boundary conditions for chain-end adsorbing polymer blends. The Journal of Chemical Physics. 123: 104904. PMID 16178621 DOI: 10.1063/1.2009735  0.662
2005 Cooke IR, Kremer K, Deserno M. Tunable generic model for fluid bilayer membranes. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 72: 011506. PMID 16089969 DOI: 10.1103/Physreve.72.011506  0.798
2005 Schravendijk P, van der Vegt N, Delle Site L, Kremer K. Dual-scale modeling of benzene adsorption onto Ni(111) and Au(111) surfaces in explicit water. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1866-71. PMID 16086342 DOI: 10.1002/Cphc.200400591  0.32
2005 Mann BA, Holm C, Kremer K. Swelling of polyelectrolyte networks. The Journal of Chemical Physics. 122: 154903. PMID 15945663 DOI: 10.1063/1.1882275  0.717
2005 Zhou X, Andrienko D, Site LD, Kremer K. Dynamic surface decoupling in a sheared polymer melt Europhysics Letters (Epl). 70: 264-270. DOI: 10.1209/Epl/I2004-10478-8  0.655
2005 Site LD, Leon S, Kremer K. Specific interaction of polymers with surface defects: structure formation of polycarbonate on nickel Journal of Physics: Condensed Matter. 17. DOI: 10.1088/0953-8984/17/4/L01  0.379
2005 León S, van der Vegt N, Delle Site L, Kremer K. Bisphenol A Polycarbonate:  Entanglement Analysis from Coarse-Grained MD Simulations Macromolecules. 38: 8078-8092. DOI: 10.1021/Ma050943M  0.74
2005 Andrienko D, León S, Site LD, Kremer K. Adhesion of Polycarbonate Blends on a Nickel Surface Macromolecules. 38: 5810-5816. DOI: 10.1021/Ma0506029  0.605
2005 Kremer K, Sukumaran SK, Everaers R, Grest GS. Entangled polymer systems Computer Physics Communications. 169: 75-81. DOI: 10.1016/J.Cpc.2005.03.019  0.708
2005 Delle Site L, Kremer K. Multiscale modeling of polymers on a surface: From ab initio density functional calculations of molecular adsorption to large-scale properties International Journal of Quantum Chemistry. 101: 733-739. DOI: 10.1002/Qua.20330  0.417
2005 Sukumaran SK, Grest GS, Kremer K, Everaers R. Identifying the primitive path mesh in entangled polymer liquids Journal of Polymer Science, Part B: Polymer Physics. 43: 917-933. DOI: 10.1002/Polb.20384  0.708
2005 Limbach HJ, Holm C, Kremer K. Computer Simulations of the “Hairy Rod” Model Macromolecular Chemistry and Physics. 206: 77-82. DOI: 10.1002/Macp.200400286  0.673
2004 Sun G, Kappl M, Pakula T, Kremer K, Butt HJ. Equilibrium interaction of solid surfaces across a polymer melt. Langmuir : the Acs Journal of Surfaces and Colloids. 20: 8030-4. PMID 15350068 DOI: 10.1021/La049010U  0.343
2004 Soddemann T, Auernhammer GK, Guo H, Dünweg B, Kremer K. Shear-induced undulation of smectic-A: Molecular Dynamics simulations vs. analytical theory. The European Physical Journal. E, Soft Matter. 13: 141-51. PMID 15052424 DOI: 10.1140/Epje/E2004-00045-0  0.266
2004 Delle Site L, Leon S, Kremer K. BPA-PC on a Ni111 surface: the interplay between adsorption energy and conformational entropy for different chain-end modifications. Journal of the American Chemical Society. 126: 2944-55. PMID 14995212 DOI: 10.1021/Ja0387406  0.386
2004 Everaers R, Sukumaran SK, Grest GS, Svaneborg C, Sivasubramanian A, Kremer K. Rheology and microscopic topology of entangled polymeric liquids. Science (New York, N.Y.). 303: 823-6. PMID 14764875 DOI: 10.1126/Science.1091215  0.83
2004 Mann BA, Everaers R, Holm C, Kremer K. Scaling in polyelectrolyte networks Europhysics Letters (Epl). 67: 786-792. DOI: 10.1209/Epl/I2004-10121-X  0.702
2004 Messina R, Holm C, Kremer K. Polyelectrolyte adsorption and multilayering on charged colloidal particles Journal of Polymer Science Part B: Polymer Physics. 42: 3557-3570. DOI: 10.1002/Polb.20203  0.694
2004 Limbach HJ, Holm C, Kremer K. Conformations and solution structure of polyelectrolytes in poor solvent Macromolecular Symposia. 211: 43-54. DOI: 10.1002/Masy.200450703  0.699
2003 Soddemann T, Dünweg B, Kremer K. Dissipative particle dynamics: a useful thermostat for equilibrium and nonequilibrium molecular dynamics simulations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 046702. PMID 14683074 DOI: 10.1103/Physreve.68.046702  0.367
2003 Abrams CF, Delle Site L, Kremer K. Dual-resolution coarse-grained simulation of the bisphenol-A-polycarbonate/nickel interface. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 021807. PMID 12636708 DOI: 10.1103/Physreve.67.021807  0.76
2003 Auhl R, Everaers R, Grest GS, Kremer K, Plimpton SJ. Equilibration of long chain polymer melts in computer simulations The Journal of Chemical Physics. 119: 12718-12728. DOI: 10.1063/1.1628670  0.429
2003 Loison C, Mareschal M, Kremer K, Schmid F. Thermal fluctuations in a lamellar phase of a binary amphiphile–solvent mixture: A molecular-dynamics study The Journal of Chemical Physics. 119: 13138-13148. DOI: 10.1063/1.1626634  0.735
2003 Guo H, Kremer K. Molecular dynamics simulation of the phase behavior of lamellar amphiphilic model systems The Journal of Chemical Physics. 119: 9308-9320. DOI: 10.1063/1.1614195  0.394
2003 Guo H, Kremer K. Amphiphilic lamellar model systems under dilation and compression: Molecular dynamics study The Journal of Chemical Physics. 118: 7714. DOI: 10.1063/1.1562615  0.375
2003 Abrams CF, Kremer K. Combined coarse-grained and atomistic simulation of liquid bisphenol A-polycarbonate: Liquid packing and intramolecular structure Macromolecules. 36: 260-267. DOI: 10.1021/Ma0213495  0.66
2003 Messina R, Holm C, Kremer K. Polyelectrolyte Multilayering on a Charged Sphere Langmuir. 19: 4473-4482. DOI: 10.1021/La026988N  0.647
2003 Kremer K. Computer Simulations for Macromolecular Science Macromolecular Chemistry and Physics. 204: 257-264. DOI: 10.1002/Macp.200290079  0.411
2002 Guo H, Kremer K, Soddemann T. Nonequilibrium molecular dynamics simulation of shear-induced alignment of amphiphilic model systems. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 66: 061503. PMID 12513288 DOI: 10.1103/Physreve.66.061503  0.306
2002 Delle Site L, Abrams CF, Alavi A, Kremer K. Polymers near metal surfaces: selective adsorption and global conformations. Physical Review Letters. 89: 156103. PMID 12366003 DOI: 10.1103/Physrevlett.89.156103  0.813
2002 Messina R, Holm C, Kremer K. Conformation of a polyelectrolyte complexed to a like-charged colloid. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 65: 041805. PMID 12005864 DOI: 10.1103/Physreve.65.041805  0.667
2002 Limbach HJ, Holm C, Kremer K. Structure of polyelectrolytes in poor solvent Europhysics Letters (Epl). 60: 566-572. DOI: 10.1209/Epl/I2002-00256-8  0.696
2002 Holm C, Limbach HJ, Kremer K. Poor-solvent polyelectrolytes Journal of Physics: Condensed Matter. 15: S205-S211. DOI: 10.1088/0953-8984/15/1/326  0.702
2002 Kremer K, Müller-Plathe F. Multiscale simulation in polymer science Molecular Simulation. 28: 729-750. DOI: 10.1080/0892702021000002458  0.387
2002 Messina R, Holm C, Kremer K. Like-charge colloid–polyelectrolyte complexation The Journal of Chemical Physics. 117: 2947-2960. DOI: 10.1063/1.1490595  0.661
2002 Dünweg B, Reith D, Steinhauser M, Kremer K. Corrections to scaling in the hydrodynamic properties of dilute polymer solutions The Journal of Chemical Physics. 117: 914-924. DOI: 10.1063/1.1483296  0.429
2002 Abrams CF, Kremer K. Effects of excluded volume and bond length on the dynamics of dense bead-spring polymer melts Journal of Chemical Physics. 116: 3162-3165. DOI: 10.1063/1.1445107  0.577
2002 Messina R, Holm C, Kremer K. Charge inversion in colloidal systems Computer Physics Communications. 147: 282-285. DOI: 10.1016/S0010-4655(02)00288-6  0.658
2001 Messina R, Holm C, Kremer K. Strong electrostatic interactions in spherical colloidal systems. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 64: 021405. PMID 11497580 DOI: 10.1103/Physreve.64.021405  0.616
2001 Kremer K, Müller-Plathe F. Multiscale Problems in Polymer Science: Simulation Approaches Mrs Bulletin. 26: 205-210. DOI: 10.1557/Mrs2001.43  0.266
2001 Abrams CF, Kremer K. The effect of bond length on the structure of dense bead-spring polymer melts Journal of Chemical Physics. 115: 2776-2785. DOI: 10.1063/1.1385791  0.575
2001 Messina R, Holm C, Kremer K. Effect of colloidal charge discretization in the primitive model The European Physical Journal E. 4: 363-370. DOI: 10.1007/S101890170119  0.645
2001 Soddemann T, Dünweg B, Kremer K. The European Physical Journal E. 6: 409-419. DOI: 10.1007/S10189-001-8054-4  0.433
2001 Hahn O, Site LD, Kremer K. Simulation of Polymer Melts: From Spherical to Ellipsoidal Beads Macromolecular Theory and Simulations. 10: 288-303. DOI: 10.1002/1521-3919(20010401)10:4<288::Aid-Mats288>3.0.Co;2-7  0.437
2000 Pütz M, Kremer K, Everaers R. Self-Similar Chain Confirmations in Polymer Gels Physical Review Letters. 84: 298-301. PMID 11015895 DOI: 10.1103/Physrevlett.84.298  0.375
2000 Messina R, Holm C, Kremer K. Strong attraction between charged spheres due to metastable ionized states Physical Review Letters. 85: 872-875. PMID 10991420 DOI: 10.1103/Physrevlett.85.872  0.633
2000 Messina R, Holm C, Kremer K. Ground state of two unlike charged colloids: An analogy with ionic bonding Europhysics Letters (Epl). 51: 461-467. DOI: 10.1209/Epl/I2000-00516-1  0.66
2000 Pütz M, Kremer K, Grest GS. Reply to the Comment by A. Wischnewski and D. Richter on "What is the entanglement length in a polymer melt?” Europhysics Letters (Epl). 52: 721-722. DOI: 10.1209/Epl/I2000-00498-4  0.266
2000 Pütz M, Kremer K, Grest GS. What is the entanglement length in a polymer melt? Europhysics Letters (Epl). 49: 735-741. DOI: 10.1209/Epl/I2000-00212-8  0.45
2000 Micka U, Kremer K. Strongly charged flexible polyelectrolytes in poor solvents—from stable spheres to necklace chains Europhysics Letters (Epl). 49: 189-195. DOI: 10.1209/Epl/I2000-00133-6  0.409
2000 ROUAULT Y, KREMER K. Harmonics in the stress response of a WCA-Lennard-Jones liquid under oscillatory elongational flow Molecular Physics. 98: 37-42. DOI: 10.1080/00268970009483267  0.268
2000 Maiti PK, Kremer K, Flimm O, Chowdhury D, Stauffer D. Cross-Linking of Micelles by Gemini Surfactants Langmuir. 16: 3784-3790. DOI: 10.1021/La9914458  0.727
2000 Grest GS, Pütz M, Everaers R, Kremer K. Stress–strain relation of entangled polymer networks Journal of Non-Crystalline Solids. 274: 139-146. DOI: 10.1016/S0022-3093(00)00224-6  0.324
2000 Baschnagel J, Binder K, Doruker P, Gusev AA, Hahn O, Kremer K, Mattice WL, Müller-Plathe F, Murat M, Paul W, Santos S, Suter UW, Tries V. Bridging the gap between atomistic and coarse-grained models of polymers: Status and perspectives Advances in Polymer Science. 152: 41-156. DOI: 10.1007/3-540-46778-5_2  0.838
1999 Everaers R, Kremer K. Comment on “Monte Carlo Simulations on Polymer Network Deformation” Physical Review Letters. 82: 1341-1341. DOI: 10.1103/Physrevlett.82.1341  0.266
1999 Hahn O, Mooney DA, Müller-Plathe F, Kremer K. A new mechanism for penetrant diffusion in amorphous polymers: Molecular dynamics simulations of phenol diffusion in bisphenol-A-polycarbonate The Journal of Chemical Physics. 111: 6061-6068. DOI: 10.1063/1.479904  0.399
1999 Rouault Y, Kremer K. Time–temperature and time–density superposition in the simulation of rheological properties of polymers Journal of Chemical Physics. 111: 3288-3293. DOI: 10.1063/1.479608  0.437
1999 Eilhard J, Zirkel A, Tschop W, Hahn O, Kremer K, Schärpf O, Richter D, Buchenau U. Spatial correlations in polycarbonates: Neutron scattering and simulation Journal of Chemical Physics. 110: 1819-1830. DOI: 10.1063/1.477889  0.39
1999 Murat M, Grest GS, Kremer K. Statistics and Dynamics of Symmetric Diblock Copolymers: A Meolecular Dynamics Study Macromolecules. 32: 595-609. DOI: 10.1021/Ma981512P  0.411
1999 Micka U, Holm C, Kremer K. Strongly Charged, Flexible Polyelectrolytes in Poor Solvents:  Molecular Dynamics Simulations† Langmuir. 15: 4033-4044. DOI: 10.1021/La981191A  0.714
1999 Hahn O, Tschöp W, Kremer K. Coarse grained simulation of polycarbonates Computer Physics Communications. 647-647. DOI: 10.1016/S0010-4655(06)70052-2  0.266
1998 Murat M, Grest GS, Kremer K. Lamellar block copolymers: Diffusion and reduction of entanglement effects Epl. 42: 401-406. DOI: 10.1209/Epl/I1998-00262-4  0.388
1998 Liverpool TB, Golestanian R, Kremer K. Statistical Mechanics of Double-Stranded Semiflexible Polymers Physical Review Letters. 80: 405-408. DOI: 10.1103/Physrevlett.80.405  0.617
1998 Kremer K. Numerical studies of polymer networks and gels Philosophical Magazine B. 77: 569-577. DOI: 10.1080/13642819808204985  0.266
1998 Murat M, Kremer K. From many monomers to many polymers: Soft ellipsoid model for polymer melts and mixtures The Journal of Chemical Physics. 108: 4340-4348. DOI: 10.1063/1.475835  0.371
1998 Kremer K. Numerical studies of polymer networks and gels Computational Materials Science. 10: 168-174. DOI: 10.1016/S0927-0256(97)00093-1  0.266
1998 Mooney D, Müller-Plathe F, Kremer K. Simulation studies for liquid phenol: properties evaluated and tested over a range of temperatures Chemical Physics Letters. 294: 135-142. DOI: 10.1016/S0009-2614(98)00860-4  0.38
1998 Holm C, Kremer K, Vilgis TA. Polyelektrolyte: Grundlegende Probleme bei der Beschreibung weitverbreiteter Substanzen Physik Journal. 54: 1013-1016. DOI: 10.1002/Phbl.19980541107  0.606
1998 Tschöp W, Kremer K, Hahn O, Batoulis J, Bürger T. Simulation of polymer melts. II. From coarse-grained models back to atomistic description Acta Polymerica. 49: 75-79. DOI: 10.1002/(Sici)1521-4044(199802)49:2/3<75::Aid-Apol75>3.0.Co;2-5  0.446
1998 Tschöp W, Kremer K, Batoulis J, Bürger T, Hahn O. Simulation of polymer melts. I. Coarse-graining procedure for polycarbonates Acta Polymerica. 49: 61-74. DOI: 10.1002/(Sici)1521-4044(199802)49:2/3<61::Aid-Apol61>3.0.Co;2-V  0.482
1997 Micka U, Kremer K. Persistence length of weakly charged polyelectrolytes with variable intrinsic stiffness Europhysics Letters (Epl). 38: 279-284. DOI: 10.1209/Epl/I1997-00238-X  0.403
1997 Kremer K. Stretch out with some polymers Physics World. 10: 49-52. DOI: 10.1088/2058-7058/10/12/34  0.335
1996 Micka U, Kremer K. Persistence length of the Debye-Hückel model of weakly charged flexible polyelectrolyte chains. Physical Review E. 54: 2653-2662. PMID 9965378 DOI: 10.1103/Physreve.54.2653  0.266
1996 Everaers R, Kremer K. Topological interactions in model polymer networks. Physical Review E. 53. PMID 9964389 DOI: 10.1103/Physreve.53.R37  0.266
1996 Jeppesen C, Kremer K. Single-chain collapse as a first-order transition: Model for PEO in water Europhysics Letters. 34: 563-568. DOI: 10.1209/Epl/I1996-00495-1  0.627
1996 Micka U, Kremer K. The persistence length of polyelectrolyte chains Journal of Physics: Condensed Matter. 8: 9463-9470. DOI: 10.1088/0953-8984/8/47/046  0.334
1996 Grest GS, Lacasse M, Kremer K, Gupta AM. Efficient continuum model for simulating polymer blends and copolymers Journal of Chemical Physics. 105: 10583-10594. DOI: 10.1063/1.472978  0.449
1996 Stevens MJ, Kremer K. Structure of salt-free linear polyelectrolytes in the Debye-Hückel approximation Journal De Physique Ii. 6: 1607-1613. DOI: 10.1051/Jp2:1996151  0.695
1996 Everaers R, Kremer K. Elastic Properties of Polymer Networks Journal of Molecular Modeling. 2: 293-299. DOI: 10.1007/S0089460020293  0.478
1995 Everaers R, Bundschuh R, Kremer K. Fluctuations and stiffness of double-stranded polymers: Railway-track model Epl. 29: 263-268. DOI: 10.1209/0295-5075/29/3/013  0.575
1995 Kremer K, Grest GS. Computer simulations in polymer physics Physics World. 8: 39-46. DOI: 10.1088/2058-7058/8/3/26  0.266
1995 Stevens MJ, Kremer K. The nature of flexible linear polyelectrolytes in salt free solution: A molecular dynamics study The Journal of Chemical Physics. 103: 1669-1690. DOI: 10.1063/1.470698  0.71
1995 Everaers R, Kremer K. Test of the Foundations of Classical Rubber Elasticity Macromolecules. 28: 7291-7294. DOI: 10.1021/Ma00125A039  0.266
1995 Everaers R, Kremer K. Entanglement effects in model polymer networks Macromolecular Symposia. 93: 221-234. DOI: 10.1007/Bfb0106845  0.43
1994 Duering ER, Kremer K, Grest GS. Structure and relaxation of end‐linked polymer networks The Journal of Chemical Physics. 101: 8169-8192. DOI: 10.1063/1.468202  0.266
1994 Everaers R, Kremer K. A fast grid search algorithm for molecular dynamics simulations with short-range interactions Computer Physics Communications. 81: 19-55. DOI: 10.1016/0010-4655(94)90109-0  0.266
1993 Kantor Y, Kremer K. Excluded-volume interactions in tethered membranes. Physical Review E. 48: 2490-2497. PMID 9960882 DOI: 10.1103/Physreve.48.2490  0.266
1993 Stevens MJ, Kremer K. Structure of salt-free linear polyelectrolytes Physical Review Letters. 71: 2228-2231. DOI: 10.1103/Physrevlett.71.2228  0.7
1993 Dünweg B, Kremer K. Molecular dynamics simulation of a polymer chain in solution The Journal of Chemical Physics. 99: 6983-6997. DOI: 10.1063/1.465445  0.415
1993 Stevens MJ, Kremer K. Form factor of salt-free linear polyelectrolytes Macromolecules. 26: 4717-4719. DOI: 10.1021/Ma00069A048  0.494
1993 Duering ER, Kremer K, Grest GS. Dynamics of model networks: the role of the melt entanglement length Macromolecules. 26: 3241-3244. DOI: 10.1021/MA00064A045  0.266
1993 Pistoor N, Kremer K. Structure and dynamics of yukawa systems Physica a: Statistical Mechanics and Its Applications. 201: 171-177. DOI: 10.1016/0378-4371(93)90414-Y  0.266
1993 Grest GS, Kremer K, Duering ER. Kinetics and relaxation of end crosslinked polymer networks Physica a: Statistical Mechanics and Its Applications. 194: 330-337. DOI: 10.1016/0378-4371(93)90366-C  0.266
1993 Kremer K, Dünweg B, Stevens MS. Computer simulations for polymer solutions Physica a: Statistical Mechanics and Its Applications. 194: 321-329. DOI: 10.1016/0378-4371(93)90365-B  0.772
1992 Grest GS, Kremer K, Duering ER. Kinetics of End Crosslinking in Dense Polymer Melts Europhysics Letters (Epl). 19: 195-200. DOI: 10.1209/0295-5075/19/3/008  0.266
1992 Wittmann H, Kremer K, Binder K. Glass transition of polymer melts: A two‐dimensional Monte Carlo study in the framework of the bond fluctuation method The Journal of Chemical Physics. 96: 6291-6306. DOI: 10.1063/1.462620  0.615
1992 Jagodzinski O, Eisenriegler E, Kremer K. Universal shape properties of open and closed polymer chains: renormalization group analysis and Monte Carlo experiments Journal De Physique I. 2: 2243-2279. DOI: 10.1051/JP1:1992279  0.266
1992 Kremer K, Grest GS. Simulations for structural and dynamic properties of dense polymer systems Journal of the Chemical Society, Faraday Transactions. 88: 1707. DOI: 10.1039/Ft9928801707  0.447
1992 Wittmann H, Kremer K, Binder K. Evidence for the time-temperature superposition principle from Monte-Carlo simulations of the glass transition in two-dimensional polymer melts Die Makromolekulare Chemie, Theory and Simulations. 1: 275-286. DOI: 10.1002/Mats.1992.040010501  0.611
1991 Duering ER, Kremer K, Grest GS. Relaxation of randomly cross-linked polymer melts Physical Review Letters. 67: 3531-3534. PMID 10044759 DOI: 10.1103/Physrevlett.67.3531  0.435
1991 Dünweg B, Kremer K. Microscopic verification of dynamic scaling in dilute polymer solutions: A molecular-dynamics simulation. Physical Review Letters. 66: 2996-2999. PMID 10043672 DOI: 10.1103/Physrevlett.66.2996  0.266
1991 Kremer K, Grest GS. Monte Carlo and molecular dynamics simulations of polymers Physica Scripta. 35: 61-65. DOI: 10.1088/0031-8949/1991/T35/013  0.496
1991 Paul W, Binder K, Heermann DW, Kremer K. Dynamics of polymer solutions and melts. Reptation predictions and scaling of relaxation times The Journal of Chemical Physics. 95: 7726-7740. DOI: 10.1063/1.461346  0.738
1991 Kremer K, Grest GS. Erratum: Dynamics of entangled polymer melts: A molecular‐dynamics simulation [J. Chem. Phys. 92, 5057 (1990)] Journal of Chemical Physics. 94: 4103-4103. DOI: 10.1063/1.460746  0.266
1991 Paul W, Binder K, Heermann DW, Kremer K. Crossover scaling in semidilute polymer solutions: a Monte Carlo test Journal De Physique Ii. 1: 37-60. DOI: 10.1051/Jp2:1991138  0.656
1991 Paul W, Binder K, Kremer K, Heermann DW. Structure-property correlation of polymers, a Monte Carlo approach Macromolecules. 24: 6332-6334. DOI: 10.1021/Ma00023A041  0.732
1990 Robbins MO, Grest GS, Kremer K. Effect of finite system size on thermal fluctuations: Implications for melting. Physical Review. B, Condensed Matter. 42: 5579-5585. PMID 9996141 DOI: 10.1103/Physrevb.42.5579  0.517
1990 Kremer K, Grest GS. Molecular dynamics (MD) simulations for polymers Journal of Physics: Condensed Matter. 2: SA295-SA298. DOI: 10.1088/0953-8984/2/S/045  0.266
1990 Kremer K, Grest GS. Computer Simulations of Complex Polymer Systems Physica Scripta. 1990: 36-41. DOI: 10.1088/0031-8949/1990/T33/006  0.488
1990 Kremer K, Grest GS. Dynamics of entangled linear polymer melts:  A molecular‐dynamics simulation The Journal of Chemical Physics. 92: 5057-5086. DOI: 10.1063/1.458541  0.424
1990 Kreer M, Kremer K, Binder K. Orientational order in lipid monolayers: A one‐dimensional model The Journal of Chemical Physics. 92: 6195-6209. DOI: 10.1063/1.458343  0.595
1990 Grest GS, Kremer K. Critical properties of crosslinked polymer melts Journal De Physique. 51: 2829-2842. DOI: 10.1051/JPHYS:0199000510240282900  0.266
1990 Carmesin I, Kremer K. Static and dynamic properties of two-dimensional polymer melts Journal De Physique. 51: 915-932. DOI: 10.1051/JPHYS:019900051010091500  0.266
1990 Jilge W, Carmesin I, Kremer K, Binder K. A Monte Carlo simulation of polymer-polymer interdiffusion Macromolecules. 23: 5001-5013. DOI: 10.1021/Ma00225A021  0.572
1990 Grest GS, Kremer K. Statistical properties of random cross-linked rubbers Macromolecules. 23: 4994-5000. DOI: 10.1021/Ma00225A020  0.386
1990 Wittmann H, Kremer K. Vectorized version of the bond fluctuation method for lattice polymers Computer Physics Communications. 61: 309-330. DOI: 10.1016/0010-4655(90)90047-5  0.434
1989 Batoulis J, Pistoor N, Kremer K, Frisch HL. Monte Carlo simulation of DNA electrophoresis. Electrophoresis. 10: 442-6. PMID 2670550 DOI: 10.1002/Elps.1150100522  0.525
1989 Grest GS, Kremer K, Murat M. What can we Learn from Molecular Dynamics Simulations of Macromolecular Liquids? Mrs Proceedings. 177. DOI: 10.1557/Proc-177-77  0.266
1989 Curro JG, Schweizer KS, Grest GS, Kremer K. A comparison between integral equation theory and molecular dynamics simulations of dense, flexible polymer liquids The Journal of Chemical Physics. 91: 1357-1364. DOI: 10.1063/1.457159  0.65
1989 Curro JG, Schweizer KS, Grest GS, Kremer K. A comparison between integral equation theory and molecular dynamics simulations of dense, flexible polymer liquids a The Journal of Chemical Physics. 91: 1357-1364. DOI: 10.1063/1.457159  0.634
1989 Batoulis J, Kremer K. Thermodynamic properties of star polymers: good solvents Macromolecules. 22: 4277-4285. DOI: 10.1021/Ma00201A024  0.259
1989 Grest GS, Kremer K, Milner ST, Witten TA. Relaxation of self-entangled many-arm star polymers Macromolecules. 22: 1904-1910. DOI: 10.1021/Ma00194A065  0.791
1989 Grest GS, Dünweg B, Kremer K. Vectorized link cell Fortran code for molecular dynamics simulations for a large number of particles Computer Physics Communications. 55: 269-285. DOI: 10.1016/0010-4655(89)90125-2  0.321
1988 Batoulis J, Kremer K. Residual 3-Body Interactions of a θ-Polymer: Star Polymers Europhysics Letters (Epl). 7: 683-688. DOI: 10.1209/0295-5075/7/8/003  0.266
1988 Batoulis J, Kremer K. Statistical properties of biased sampling methods for long polymer chains Journal of Physics a: Mathematical and General. 21: 127-146. DOI: 10.1088/0305-4470/21/1/020  0.41
1988 Robbins MO, Kremer K, Grest GS. Phase diagram and dynamics of Yukawa systems The Journal of Chemical Physics. 88: 3286-3312. DOI: 10.1063/1.453924  0.684
1988 Carmesin I, Kremer K. The bond fluctuation method: a new effective algorithm for the dynamics of polymers in all spatial dimensions Macromolecules. 21: 2819-2823. DOI: 10.1021/Ma00187A030  0.266
1988 Kremer K, Binder K. Monte Carlo simulation of lattice models for macromolecules Computer Physics Reports. 7: 259-310. DOI: 10.1016/0167-7977(88)90015-9  0.651
1987 Dieren Fv, Kremer K. Adsorption of a Theta Polymer: Competition Between Mean-Field and Multicritical Behaviour Europhysics Letters (Epl). 4: 569-576. DOI: 10.1209/0295-5075/4/5/010  0.266
1987 Kremer K, Grest GS, Robbins MO. Dynamics of supercooled liquids interacting with a repulsive Yukawa potential Journal of Physics a: Mathematical and General. 20: L181-L187. DOI: 10.1088/0305-4470/20/3/012  0.669
1987 Grest GS, Kremer K, Witten TA. Structure of many-arm star polymers: A molecular dynamics simulation Macromolecules. 20: 1376-1383. DOI: 10.1021/Ma00172A035  0.728
1986 Kremer K, Robbins MO, Grest GS. Phase diagram of Yukawa systems: Model for charge-stabilized colloids. Physical Review Letters. 57: 2694-2697. PMID 10033837 DOI: 10.1103/Physrevlett.57.2694  0.517
1986 Lyklema JW, Kremer K. Monte Carlo series analysis of irreversible self-avoiding walks. II. The growing self-avoiding walk Journal of Physics a: Mathematical and General. 19: 279-289. DOI: 10.1088/0305-4470/19/2/021  0.53
1985 Kremer K, Lyklema JW. Kinetic growth models. Physical Review Letters. 55: 2091. PMID 10032009 DOI: 10.1103/Physrevlett.55.2091  0.507
1985 Kremer K, Lyklema JW. Monte Carlo series analysis of irreversible self-avoiding walks. I. the indefinitely-growing self-avoiding walk (IGSAW) Journal of Physics a: General Physics. 18: 1515-1531. DOI: 10.1088/0305-4470/18/9/031  0.521
1985 Kremer K. Critical exponents and scaling functions of a self‐avoiding walk interacting with a defect plane The Journal of Chemical Physics. 83: 5882-5887. DOI: 10.1063/1.449618  0.382
1984 Kremer K, Barber MN. A direct real-space renormalisation calculation of the exponent gamma for self-avoiding walks Journal of Physics a: Mathematical and General. 17: L215-L221. DOI: 10.1088/0305-4470/17/4/011  0.266
1984 Lyklema JW, Kremer K. The growing self avoiding walk Journal of Physics a: Mathematical and General. 17: L691-L696. DOI: 10.1088/0305-4470/17/13/003  0.551
1984 Kremer K, Binder K. Dynamics of polymer chains confined into tubes: Scaling theory and Monte Carlo simulations The Journal of Chemical Physics. 81: 6381-6394. DOI: 10.1063/1.447549  0.617
1984 Lyklema JW, Kremer K. Self-avoiding walks on randomly diluted lattices Zeitschrift FüR Physik B Condensed Matter. 55: 41-44. DOI: 10.1007/Bf01307499  0.501
1983 Kremer K. Adsorption of a self-avoiding walk, a real space renormalisation group study of d=2,3 Journal of Physics a: Mathematical and General. 16: 4333-4342. DOI: 10.1088/0305-4470/16/18/033  0.266
1983 Baumgärtner A, Kremer K, Binder K. Dynamics of entangled flexible polymers. Monte Carlo simulations and their interpretation Faraday Symp. Chem. Soc.. 18: 37-47. DOI: 10.1039/Fs9831800037  0.612
1983 Kremer K. Statics and dynamics of polymeric melts: a numerical analysis Macromolecules. 16: 1632-1638. DOI: 10.1021/Ma00244A015  0.266
1982 Kremer K, Baumgartner A, Binder K. Collapse transition and crossover scaling for self-avoiding walks on the diamond lattice Journal of Physics a: Mathematical and General. 15: 2879-2897. DOI: 10.1088/0305-4470/15/9/036  0.589
1982 Eisenriegler E, Kremer K, Binder K. Adsorption of polymer chains at surfaces: Scaling and Monte Carlo analyses Journal of Chemical Physics. 77: 6296-6320. DOI: 10.1063/1.443835  0.616
1981 Kremer K. Self-avoiding-walks (SAW's) on diluted lattices, a Monte Carlo analysis Zeitschrift F�R Physik B Condensed Matter. 45: 149-152. DOI: 10.1007/Bf01293328  0.346
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