| Year |
Citation |
Score |
| 2024 |
Iscen A, Kaygisiz K, Synatschke CV, Weil T, Kremer K. Multiscale Simulations of Self-Assembling Peptides: Surface and Core Hydrophobicity Determine Fibril Stability and Amyloid Aggregation. Biomacromolecules. 25: 3063-3075. PMID 38652055 DOI: 10.1021/acs.biomac.4c00151 |
0.742 |
|
| 2023 |
Kaygisiz K, Rauch-Wirth L, Iscen A, Hartenfels J, Kremer K, Münch J, Synatschke CV, Weil T. Peptide Amphiphiles as Biodegradable Adjuvants for Efficient Retroviral Gene Delivery. Advanced Healthcare Materials. e2301364. PMID 37947246 DOI: 10.1002/adhm.202301364 |
0.732 |
|
| 2023 |
Banerjee A, Iscen A, Kremer K, Kukharenko O. Determining glass transition in all-atom acrylic polymeric melt simulations using machine learning. The Journal of Chemical Physics. 159. PMID 37602800 DOI: 10.1063/5.0151156 |
0.793 |
|
| 2023 |
Iscen A, Forero-Martinez NC, Valsson O, Kremer K. Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers. Macromolecules. 56: 3272-3285. PMID 37181244 DOI: 10.1021/acs.macromol.2c02442 |
0.775 |
|
| 2022 |
Scheffler M, Aeschlimann M, Albrecht M, Bereau T, Bungartz HJ, Felser C, Greiner M, Groß A, Koch CT, Kremer K, Nagel WE, Scheidgen M, Wöll C, Draxl C. FAIR data enabling new horizons for materials research. Nature. 604: 635-642. PMID 35478233 DOI: 10.1038/s41586-022-04501-x |
0.563 |
|
| 2022 |
Forero-Martinez NC, Lin KH, Kremer K, Andrienko D. Virtual Screening for Organic Solar Cells and Light Emitting Diodes. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). e2200825. PMID 35460204 DOI: 10.1002/advs.202200825 |
0.523 |
|
| 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 |
0.769 |
|
| 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 |
0.308 |
|
| 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 |
0.665 |
|
| 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 |
0.529 |
|
| 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 |
0.604 |
|
| 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 |
0.386 |
|
| 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 |
0.682 |
|
| 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 |
0.8 |
|
| 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 |
0.321 |
|
| 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 |
0.35 |
|
| 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 |
0.611 |
|
| 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 |
0.66 |
|
| 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 |
0.354 |
|
| 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 |
0.403 |
|
| 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 |
0.365 |
|
| 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 |
0.654 |
|
| 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 |
0.44 |
|
| 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 |
0.674 |
|
| 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 |
0.385 |
|
| 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 |
0.734 |
|
| 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 |
0.417 |
|
| 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 |
0.4 |
|
| 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 |
0.378 |
|
| 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 |
0.606 |
|
| 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 |
0.471 |
|
| 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 |
0.368 |
|
| 2018 |
Smrek J, Kremer K. Interfacial Properties of Active-Passive Polymer Mixtures Entropy. 20: 520. DOI: 10.3390/E20070520 |
0.319 |
|
| 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 |
0.56 |
|
| 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 |
0.661 |
|
| 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 |
0.809 |
|
| 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 |
0.388 |
|
| 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 |
0.356 |
|
| 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 |
0.369 |
|
| 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 |
0.672 |
|
| 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 |
0.67 |
|
| 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 |
0.683 |
|
| 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 |
0.408 |
|
| 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 |
0.381 |
|
| 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 |
0.333 |
|
| 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 |
0.372 |
|
| 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 |
0.319 |
|
| 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 |
0.394 |
|
| 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 |
0.4 |
|
| 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 |
0.346 |
|
| 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 |
0.34 |
|
| 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 |
0.393 |
|
| 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 |
0.677 |
|
| 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 |
0.68 |
|
| 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 |
0.302 |
|
| 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 |
0.385 |
|
| 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 |
0.419 |
|
| 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 |
0.395 |
|
| 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 |
0.335 |
|
| 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 |
0.642 |
|
| 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 |
0.356 |
|
| 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 |
0.428 |
|
| 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 |
0.408 |
|
| 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 |
0.314 |
|
| 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 |
0.786 |
|
| 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 |
0.675 |
|
| 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 |
0.706 |
|
| 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 |
0.382 |
|
| 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 |
0.309 |
|
| 2016 |
Bereau T, Andrienko D, Kremer K. Research Update: Computational materials discovery in soft matter Apl Materials. 4. DOI: 10.1063/1.4943287 |
0.722 |
|
| 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 |
0.702 |
|
| 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 |
0.603 |
|
| 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 |
0.658 |
|
| 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 |
0.342 |
|
| 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 |
0.799 |
|
| 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 |
0.412 |
|
| 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 |
0.442 |
|
| 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 |
0.367 |
|
| 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 |
0.621 |
|
| 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 |
0.367 |
|
| 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 |
0.305 |
|
| 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 |
0.427 |
|
| 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 |
0.49 |
|
| 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. PMID 35590505 DOI: 10.1021/mz5000015 |
0.331 |
|
| 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 |
0.364 |
|
| 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 |
0.373 |
|
| 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 |
0.325 |
|
| 2014 |
Potestio R, Peter C, Kremer K. Computer Simulations of Soft Matter: Linking the Scales Entropy. 16: 4199-4245. DOI: 10.3390/E16084199 |
0.677 |
|
| 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 |
0.352 |
|
| 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 |
0.422 |
|
| 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 |
0.387 |
|
| 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 |
0.413 |
|
| 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 |
0.411 |
|
| 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 |
0.625 |
|
| 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 |
0.365 |
|
| 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 |
0.418 |
|
| 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 |
0.432 |
|
| 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 |
0.719 |
|
| 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 |
0.648 |
|
| 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 |
0.614 |
|
| 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 |
0.398 |
|
| 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 |
0.797 |
|
| 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 |
0.43 |
|
| 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 |
0.376 |
|
| 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 |
0.722 |
|
| 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 |
0.451 |
|
| 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 |
0.715 |
|
| 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 |
0.606 |
|
| 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 |
0.674 |
|
| 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 |
0.36 |
|
| 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 |
0.641 |
|
| 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 |
0.432 |
|
| 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 |
0.319 |
|
| 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 |
0.395 |
|
| 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 |
0.731 |
|
| 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 |
0.308 |
|
| 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 |
0.35 |
|
| 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 |
0.372 |
|
| 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 |
0.453 |
|
| 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 |
0.625 |
|
| 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 |
0.314 |
|
| 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 |
0.649 |
|
| 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 |
0.606 |
|
| 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 |
0.784 |
|
| 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 |
0.426 |
|
| 2010 |
Peter C, Kremer K. Multiscale simulation of soft matter systems. Faraday Discussions. 144: 9-24. PMID 20158020 DOI: 10.1039/B919800H |
0.618 |
|
| 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 |
0.641 |
|
| 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 |
0.456 |
|
| 2010 |
Vettorel T, Kremer K. Macromol. Theory Simul. 1/2010 Macromolecular Theory and Simulations. 19: NA-NA. DOI: 10.1002/Mats.201090001 |
0.311 |
|
| 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 |
0.349 |
|
| 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 |
0.785 |
|
| 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 |
0.386 |
|
| 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 |
0.397 |
|
| 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 |
0.809 |
|
| 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 |
0.436 |
|
| 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 |
0.619 |
|
| 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 |
0.786 |
|
| 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 |
0.698 |
|
| 2009 |
Fritz D, Herbers CR, Kremer K, van der Vegt NFA. Hierarchical modeling of polymer permeation Soft Matter. 5: 4556. DOI: 10.1039/B911713J |
0.423 |
|
| 2009 |
Harmandaris VA, Kremer K. Predicting polymer dynamics at multiple length and time scales Soft Matter. 5: 3920. DOI: 10.1039/B905361A |
0.436 |
|
| 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 |
0.493 |
|
| 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 |
0.441 |
|
| 2009 |
Lee WB, Kremer K. Entangled Polymer Melts: Relation between Plateau Modulus and Stress Autocorrelation Function Macromolecules. 42: 6270-6276. DOI: 10.1021/Ma9008498 |
0.418 |
|
| 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 |
0.34 |
|
| 2009 |
Harmandaris VA, Kremer K. Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations Macromolecules. 42: 791-802. DOI: 10.1021/Ma8018624 |
0.463 |
|
| 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 |
0.417 |
|
| 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 |
0.59 |
|
| 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 |
0.624 |
|
| 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 |
0.417 |
|
| 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 |
0.416 |
|
| 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 |
0.423 |
|
| 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 |
0.449 |
|
| 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 |
0.739 |
|
| 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 |
0.574 |
|
| 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 |
0.578 |
|
| 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 |
0.675 |
|
| 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 |
0.633 |
|
| 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 |
0.723 |
|
| 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 |
0.324 |
|
| 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 |
0.627 |
|
| 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 |
0.571 |
|
| 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 |
0.444 |
|
| 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 |
0.408 |
|
| 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 |
0.331 |
|
| 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 |
0.402 |
|
| 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 |
0.458 |
|
| 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 |
0.439 |
|
| 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 |
0.441 |
|
| 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 |
0.341 |
|
| 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 |
0.632 |
|
| 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 |
0.421 |
|
| 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 |
0.487 |
|
| 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 |
0.402 |
|
| 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 |
0.433 |
|
| 2006 |
Mann BA, Kremer K, Holm C. Cover Picture: Macromol. Symp. 237/2006 Macromolecular Symposia. 237: NA-NA. DOI: 10.1002/Masy.200690077 |
0.565 |
|
| 2006 |
Mann BA, Kremer K, Holm C. The Swelling Behavior of Charged Hydrogels Macromolecular Symposia. 237: 90-107. DOI: 10.1002/Masy.200650511 |
0.677 |
|
| 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 |
0.423 |
|
| 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 |
0.577 |
|
| 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 |
0.625 |
|
| 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 |
0.319 |
|
| 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 |
0.69 |
|
| 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 |
0.597 |
|
| 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 |
0.354 |
|
| 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 |
0.445 |
|
| 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 |
0.585 |
|
| 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 |
0.379 |
|
| 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 |
0.403 |
|
| 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 |
0.395 |
|
| 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 |
0.67 |
|
| 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 |
0.338 |
|
| 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 |
0.33 |
|
| 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 |
0.342 |
|
| 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 |
0.421 |
|
| 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 |
0.677 |
|
| 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 |
0.646 |
|
| 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 |
0.671 |
|
| 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 |
0.359 |
|
| 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 |
0.384 |
|
| 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 |
0.389 |
|
| 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 |
0.617 |
|
| 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 |
0.405 |
|
| 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 |
0.385 |
|
| 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 |
0.426 |
|
| 2003 |
Messina R, Holm C, Kremer K. Polyelectrolyte Multilayering on a Charged Sphere Langmuir. 19: 4473-4482. DOI: 10.1021/La026988N |
0.642 |
|
| 2003 |
Kremer K. Computer Simulations for Macromolecular Science Macromolecular Chemistry and Physics. 204: 257-264. DOI: 10.1002/Macp.200290079 |
0.391 |
|
| 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 |
0.35 |
|
| 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 |
0.402 |
|
| 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 |
0.659 |
|
| 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 |
0.685 |
|
| 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 |
0.682 |
|
| 2002 |
Kremer K, Müller-Plathe F. Multiscale simulation in polymer science Molecular Simulation. 28: 729-750. DOI: 10.1080/0892702021000002458 |
0.4 |
|
| 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 |
0.654 |
|
| 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 |
0.409 |
|
| 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 |
0.649 |
|
| 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 |
0.671 |
|
| 2001 |
Kremer K, Müller-Plathe F. Multiscale Problems in Polymer Science: Simulation Approaches Mrs Bulletin. 26: 205-210. DOI: 10.1557/Mrs2001.43 |
0.356 |
|
| 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 |
0.327 |
|
| 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 |
0.642 |
|
| 2001 |
Soddemann T, Dünweg B, Kremer K. The European Physical Journal E. 6: 409-419. DOI: 10.1007/S10189-001-8054-4 |
0.403 |
|
| 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 |
0.451 |
|
| 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 |
0.367 |
|
| 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 |
0.626 |
|
| 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 |
0.647 |
|
| 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 |
0.429 |
|
| 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 |
0.42 |
|
| 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 |
0.435 |
|
| 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 |
0.311 |
|
| 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 |
0.76 |
|
| 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 |
0.366 |
|
| 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 |
0.377 |
|
| 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 |
0.419 |
|
| 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 |
0.33 |
|
| 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 |
0.399 |
|
| 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 |
0.663 |
|
| 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 |
0.37 |
|
| 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 |
0.369 |
|
| 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 |
0.373 |
|
| 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 |
0.374 |
|
| 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 |
0.364 |
|
| 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 |
0.578 |
|
| 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 |
0.438 |
|
| 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 |
0.464 |
|
| 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 |
0.361 |
|
| 1997 |
Kremer K. Stretch out with some polymers Physics World. 10: 49-52. DOI: 10.1088/2058-7058/10/12/34 |
0.329 |
|
| 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 |
0.351 |
|
| 1996 |
Everaers R, Kremer K. Topological interactions in model polymer networks. Physical Review E. 53. PMID 9964389 DOI: 10.1103/Physreve.53.R37 |
0.32 |
|
| 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 |
0.328 |
|
| 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 |
0.328 |
|
| 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 |
0.432 |
|
| 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 |
0.4 |
|
| 1996 |
Everaers R, Kremer K. Elastic Properties of Polymer Networks Journal of Molecular Modeling. 2: 293-299. DOI: 10.1007/S0089460020293 |
0.427 |
|
| 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 |
0.352 |
|
| 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 |
0.447 |
|
| 1995 |
Everaers R, Kremer K. Entanglement effects in model polymer networks Macromolecular Symposia. 93: 221-234. DOI: 10.1007/Bfb0106845 |
0.402 |
|
| 1993 |
Stevens MJ, Kremer K. Structure of salt-free linear polyelectrolytes Physical Review Letters. 71: 2228-2231. DOI: 10.1103/Physrevlett.71.2228 |
0.421 |
|
| 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 |
0.421 |
|
| 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 |
0.342 |
|
| 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 |
0.506 |
|
| 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 |
0.428 |
|
| 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 |
0.456 |
|
| 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 |
0.365 |
|
| 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 |
0.42 |
|
| 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 |
0.455 |
|
| 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 |
0.697 |
|
| 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 |
0.408 |
|
| 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 |
0.608 |
|
| 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 |
0.675 |
|
| 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 |
0.317 |
|
| 1990 |
Kremer K, Grest GS. Computer Simulations of Complex Polymer Systems Physica Scripta. 1990: 36-41. DOI: 10.1088/0031-8949/1990/T33/006 |
0.427 |
|
| 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 |
0.396 |
|
| 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 |
0.501 |
|
| 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 |
0.487 |
|
| 1990 |
Grest GS, Kremer K. Statistical properties of random cross-linked rubbers Macromolecules. 23: 4994-5000. DOI: 10.1021/Ma00225A020 |
0.351 |
|
| 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 |
0.376 |
|
| 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 |
0.329 |
|
| 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 |
0.446 |
|
| 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 |
0.362 |
|
| 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 |
0.39 |
|
| 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 |
0.328 |
|
| 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 |
0.373 |
|
| 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 |
0.32 |
|
| 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 |
0.323 |
|
| 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 |
0.473 |
|
| 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 |
0.385 |
|
| 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 |
0.372 |
|
| 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 |
0.311 |
|
| 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 |
0.53 |
|
| 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 |
0.536 |
|
| 1983 |
Kremer K. Statics and dynamics of polymeric melts: a numerical analysis Macromolecules. 16: 1632-1638. DOI: 10.1021/Ma00244A015 |
0.331 |
|
| 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 |
0.484 |
|
| 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 |
0.502 |
|
| 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 |
0.318 |
|
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