89 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
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  1
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  0.68
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  1
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  1
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  0.36
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  0.48
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  1
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  1
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  0.92
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  1
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  0.92
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  1
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  1
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  1
2016 Bereau T, Andrienko D, Kremer K. Research Update: Computational materials discovery in soft matter Apl Materials. 4. DOI: 10.1063/1.4943287  1
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  1
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  1
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  1
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  0.36
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  1
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  1
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  0.48
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  1
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  1
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  1
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  1
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  0.4
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  1
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  1
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  0.92
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  0.92
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  1
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  0.48
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  0.92
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  1
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  1
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  1
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  0.4
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  0.4
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  1
2010 Peter C, Kremer K. Multiscale simulation of soft matter systems. Faraday Discussions. 144: 9-24. PMID 20158020  0.92
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  1
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  0.64
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  0.4
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  1
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  1
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  0.36
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  1
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  0.36
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  0.36
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  0.4
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  0.4
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  0.52
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  0.92
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  0.36
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  0.48
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  0.4
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  0.4
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  0.36
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  0.4
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  0.4
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  0.4
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  0.52
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  0.4
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  0.48
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  0.52
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  0.52
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  0.4
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  0.52
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  0.52
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  0.52
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  0.52
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  0.48
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  0.52
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  0.52
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  0.52
1996 Stevens MJ, Kremer K. Structure of salt-free linear polyelectrolytes in the Debye-Hückel approximation Journal De Physique Ii. 6: 1607-1613.  0.52
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  0.52
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.  0.52
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  0.52
1993 Stevens MJ, Kremer K. Form factor of salt-free linear polyelectrolytes Macromolecules. 26: 4717-4719.  0.52
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  0.52
1988 Robbins MO, Kremer K, Grest GS. Phase diagram and dynamics of Yukawa systems The Journal of Chemical Physics. 88: 3286-3312.  0.52
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  0.52
1987 Grest GS, Kremer K, Witten TA. Structure of many-arm star polymers: A molecular dynamics simulation Macromolecules. 20: 1376-1383.  0.52
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  0.52
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  0.52
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  0.52
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  0.52
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