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 (2), 47, 2016
3222016
Monte Carlo methods in materials studio
RLC Akkermans, NA Spenley, SH Robertson
Molecular Simulation 39 (14-15), 1153-1164, 2013
1942013
A structure-based coarse-grained model for polymer melts
RLC Akkermans, WJ Briels
The Journal of Chemical Physics 114 (2), 1020-1031, 2001
1372001
Coarse-grained dynamics of one chain in a polymer melt
RLC Akkermans, WJ Briels
The Journal of Chemical Physics 113 (15), 6409-6422, 2000
1232000
Molecular dynamics of polymer growth
RLC Akkermans, S Toxvaerd, WJ Briels
The Journal of chemical physics 109 (7), 2929-2940, 1998
561998
Multiscale modelling of human hair
RLC Akkermans, PB Warren
Philosophical Transactions of the Royal Society of London. Series A …, 2004
532004
Coarse-grained interactions in polymer melts: a variational approach
RLC Akkermans, WJ Briels
The Journal of Chemical Physics 115 (13), 6210-6219, 2001
472001
Mesoscale model parameters from molecular cluster calculations
RLC Akkermans
The Journal of chemical physics 128 (24), 244904, 2008
312008
On the equivalence of atomic and molecular pressure
RLC Akkermans, G Ciccotti
The Journal of Physical Chemistry B 108 (21), 6866-6869, 2004
232004
Representation of coarse-grained potentials for polymer simulations
WJ Briels, RLC Akkermans
Molecular simulation 28 (1-2), 145-152, 2002
232002
Solvation Free Energy of Regular and Azeotropic Molecular Mixtures
RLC Akkermans
The Journal of Physical Chemistry B 121 (7), 1675-1683, 2017
82017
The Langevin equation for generalized coordinates
RLC Akkermans
New Algorithms for Macromolecular Simulation, 155-165, 2006
62006
COMPASS III: automated fitting workflows and extension to ionic liquids
RLC Akkermans, NA Spenley, SH Robertson
Molecular Simulation, 1-12, 2020
52020
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
42019
Multiscale Modeling of Human Skin
R LC Akkermans, J T Wescott
Current Nanoscience 7 (5), 736-742, 2011
32011
New Algorithms for Macromolecular Simulation
RLC Akkermans
Lecture Notes in Computational Science and Engineering (Springer, Berlin) 49 …, 2006
22006
Molecular simulation of thermoset curing: application to 3D printing materials
M Jenei, RLC Akkermans, S Robertson, JA Elliott
Molecular Simulation, 1-11, 2020
2020
Representative trajectory data supporting" Multiscale Electrolyte Transport Simulations for Lithium Ion Batteries"
F Hanke, N Modrow, RLC Akkermans, I Korotkin, FC Mocanu, V 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