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Reinier Akkermans
Reinier Akkermans
Dassault Systèmes, BIOVIA
Verified email at 3ds.com - Homepage
Title
Cited by
Cited by
Year
COMPASS II: extended coverage for polymer and drug-like molecule databases
H Sun, Z Jin, C Yang, RLC Akkermans, SH Robertson, NA Spenley, ...
Journal of molecular modeling 22, 1-10, 2016
6982016
Monte Carlo methods in materials studio
RLC Akkermans, NA Spenley, SH Robertson
Molecular Simulation 39 (14-15), 1153-1164, 2013
3252013
A structure-based coarse-grained model for polymer melts
RLC Akkermans, WJ Briels
The Journal of Chemical Physics 114 (2), 1020-1031, 2001
1532001
Coarse-grained dynamics of one chain in a polymer melt
RLC Akkermans, WJ Briels
The Journal of Chemical Physics 113 (15), 6409-6422, 2000
1372000
COMPASS III: Automated fitting workflows and extension to ionic liquids
RLC Akkermans, NA Spenley, SH Robertson
Molecular Simulation 47 (7), 540-551, 2021
952021
Molecular dynamics of polymer growth
RLC Akkermans, S Toxvaerd, WJ Briels
The Journal of chemical physics 109 (7), 2929-2940, 1998
691998
Multiscale modelling of human hair
RLC Akkermans, PB Warren
Philosophical Transactions of the Royal Society of London. Series A …, 2004
622004
Coarse-grained interactions in polymer melts: A variational approach
RLC Akkermans, WJ Briels
The Journal of Chemical Physics 115 (13), 6210-6219, 2001
522001
Mesoscale model parameters from molecular cluster calculations
RLC Akkermans
The Journal of chemical physics 128 (24), 2008
322008
On the equivalence of atomic and molecular pressure
RLC Akkermans, G Ciccotti
The Journal of Physical Chemistry B 108 (21), 6866-6869, 2004
242004
Representation of coarse-grained potentials for polymer simulations
WJ Briels, RLC Akkermans
Molecular Simulation 28 (1-2), 145-152, 2002
232002
Multi-scale electrolyte transport simulations for lithium ion batteries
F Hanke, N Modrow, RLC Akkermans, I Korotkin, FC Mocanu, VA Neufeld, ...
Journal of The Electrochemical Society 167 (1), 013522, 2019
192019
Solvation free energy of regular and azeotropic molecular mixtures
RLC Akkermans
The Journal of Physical Chemistry B 121 (7), 1675-1683, 2017
162017
Molecular simulation of thermoset curing: application to 3D printing materials
M Jenei, RLC Akkermans, S Robertson, JA Elliott
Molecular Simulation 47 (7), 575-585, 2021
92021
The Langevin equation for generalized coordinates
RLC Akkermans
New Algorithms for Macromolecular Simulation, 155-165, 2006
52006
Multiscale Modeling of Human Skin
R LC Akkermans, J T Wescott
Current Nanoscience 7 (5), 736-742, 2011
42011
Modeling and Simulating Material Microstructures
F Hanke, J Wescott, S Schweizer, L Subramanian, K Skinner, ...
US Patent App. 17/449,312, 2022
2022
Representative trajectory data supporting" Multiscale Electrolyte Transport Simulations for Lithium Ion Batteries"
F Hanke, N Modrow, RLC Akkermans, I Korotkin, FC Mocanu, VA Neufeld, ...
2020
Molecular dynamics of polymer melts-Simulation of growth and coarse-grained modeling.
RLC Akkermans
2000
MD simulations of polymer growth
RLC Akkermans, WJ Briels
1997
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Articles 1–20