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Molecular simulation, ISSN 0892-7022, 1987
Journal
Macromolecular theory and simulations, ISSN 1022-1344, 1994
Journal
2009, ISBN 9780521898638, Volume 9780521898638, x, 567
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics... 
Molecular dynamics - Computer simulation | Molecular dynamics
Book
Journal of the American Chemical Society, ISSN 0002-7863, 03/2017, Volume 139, Issue 10, pp. 3570 - 3590
Journal Article
Computer physics communications, ISSN 0010-4655, 2013, Volume 184, Issue 2, pp. 374 - 380
...) simulations on graphics processing units (GPUs). This precision model replaces double precision arithmetic with fixed point integer arithmetic for the accumulation of force components as compared to a previously introduced model that uses mixed... 
SPFP | Precision model | Graphic processing unit | Molecular dynamics | DPDP | SPSP | Accelerator | SPDP | UBIQUITIN | PHYSICS, MATHEMATICAL | SOLVATION | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | AMBER | Analysis | Models | Algorithms
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 2016, Volume 145, Issue 17, p. 170901
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 04/2014, Volume 118, Issue 14, pp. 3864 - 3880
Molecular dynamic (MD) simulations of preassembled sodium dodecyl sulfate (SDS) micelles are carried out using three versions of GROMOS, as well as CHARMM36, OPLS-AA, and OPLS-UA force fields at different aggregation numbers and box sizes... 
SDS MICELLES | AQUEOUS-SOLUTIONS | SHAPE | SURFACE-AREA | TRANSFERABLE POTENTIALS | INITIAL CONFIGURATIONS | CHEMISTRY, PHYSICAL | PHASE-EQUILIBRIA | STRUCTURAL-PROPERTIES | PURE-LIQUID | PARAMETERS | Ions - chemistry | Sodium - chemistry | Sodium Dodecyl Sulfate - chemistry | Micelles | Water - chemistry | Surface-Active Agents - chemistry | Molecular Dynamics Simulation | Molecular dynamics | Chemical properties | Sulfates | Analysis | Sodium compounds | Sodium dodecyl sulfate | Binding | Sodium | Fluid dynamics | Physical simulation | Agglomeration
Journal Article
Nature physics, ISSN 1745-2481, 2010, Volume 6, Issue 10, pp. 751 - 758
Journal Article