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| Rheology of Ring Polymer Melts: From Linear Contaminants to Ring-Linear Blends |
| Authors: Halverson, J. D.; Grest, G. S.; Grosberg, A. Y.; Kremer, Kurt | | Date of Publication (YYYY-MM-DD): 2012 | | Title of Journal: Physical Review Letters | | Volume: 108 | | Issue / Number: 3 | | Sequence Number of Article: 038301 | | Document Type: Article | | ID: 580596.0 |
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| Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS |
| Authors: Fritsch, S.; Junghans, C.; Kremer, Kurt | | Date of Publication (YYYY-MM-DD): 2012 | | Title of Journal: Journal of Chemical Theory and Computation | | Volume: 8 | | Issue / Number: 2 | | Start Page: 398 | | End Page: 403 | | Document Type: Article | | ID: 584275.0 |
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| Kirkwood-Buff Analysis of Liquid Mixtures in an Open Boundary Simulation |
| Authors: Mukherji, D.; van der Vegt, Nico F. A.; Kremer, Kurt; Delle Site, Luigi | | Date of Publication (YYYY-MM-DD): 2012 | | Title of Journal: Journal of Chemical Theory and Computation | | Volume: 8 | | Issue / Number: 2 | | Start Page: 375 | | End Page: 379 | | Document Type: Article | | ID: 584276.0 |
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| Multiscale Simulation of Small Peptides: Consistent Conformational Sampling in Atomistic and Coarse-Grained Models |
| Authors: Bezkorovaynaya, O.; Lukyanov, A.; Kremer, Kurt; Peter, Christine | | Date of Publication (YYYY-MM-DD): 2012 | | Title of Journal: Journal of Computational Chemistry | | Volume: 33 | | Issue / Number: 9 | | Start Page: 937 | | End Page: 949 | | Document Type: Article | | ID: 605639.0 |
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| Simulations of nematic homopolymer melts using particle-based models with interactions expressed through collective variables |
| Authors: Daoulas, Kostas C.; Rühle, V.; Kremer, Kurt | | Date of Publication (YYYY-MM-DD): 2012 | | Title of Journal: Journal of Physics-Condensed Matter | | Volume: 24 | | Issue / Number: 28 | | Sequence Number of Article: 284121 | | Document Type: Article | | ID: 611783.0 |
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| Derivation of Coarse Grained Models for Multiscale Simulation of Liquid Crystalline Phase Transitions |
| Authors: Mukherjee, B.; Delle Site, Luigi; Kremer, Kurt; Peter, Christine | | Date of Publication (YYYY-MM-DD): 2012 | | Title of Journal: Journal of Physical Chemistry B | | Volume: 116 | | Issue / Number: 29 | | Start Page: 8474 | | End Page: 8484 | | Document Type: Article | | ID: 614830.0 |
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| Structure-based coarse-graining in liquid slabs |
| Authors: Jochum, M.; Andrienko, Denis; Kremer, Kurt; Peter, Christine | | Date of Publication (YYYY-MM-DD): 2012 | | Title of Journal: Journal of Chemical Physics | | Volume: 137 | | Issue / Number: 6 | | Sequence Number of Article: 064102 | | Document Type: Article | | ID: 626136.0 |
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| Preferential Solvation of Triglycine in Aqueous Urea: An Open Boundary Simulation Approach |
| Authors: Mukherji, D.; van der Vegt, Nico F. A.; Kremer, Kurt | | Date of Publication (YYYY-MM-DD): 2012 | | Title of Journal: Journal of Chemical Theory and Computation | | Volume: 8 | | Issue / Number: 10 | | Start Page: 3536 | | End Page: 3541 | | Document Type: Article | | ID: 627508.0 |
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| Temperature and Pressure Dependence of Polystyrene Dynamics through Molecular Dynamics Simulations and Experiments |
| Authors: Harmandaris, V. A.; Floudas, G.; Kremer, Kurt | | Date of Publication (YYYY-MM-DD): 2011 | | Title of Journal: Macromolecules | | Volume: 44 | | Issue / Number: 2 | | Start Page: 393 | | End Page: 402 | | Document Type: Article | | ID: 550877.0 |
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