Molecular Dynamics Simulations of Aqueous Systems

Computer Modelling of Fluids Polymers and Solids ◽

10.1007/978-94-009-2484-0_14 ◽

1990 ◽

pp. 357-394 ◽

Author(s):

K. Heinzinger

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aqueous Systems ◽

Dynamics Simulations

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Multiple Time Steps: Limits on the Speedup of Molecular Dynamics Simulations of Aqueous Systems

Molecular Simulation ◽

10.1080/08927029308022177 ◽

1993 ◽

Vol 11 (1) ◽

pp. 67-77 ◽

Author(s):

Joshua L. Scully ◽

Jan Hermans

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Multiple Time ◽

Aqueous Systems ◽

Dynamics Simulations

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Application of Adaptive QM/MM Methods to Molecular Dynamics Simulations of Aqueous Systems

Journal of Chemical Theory and Computation ◽

10.1021/ct300331f ◽

2012 ◽

Vol 8 (8) ◽

pp. 2868-2877 ◽

Author(s):

Kyoyeon Park ◽

Andreas W. Götz ◽

Ross C. Walker ◽

Francesco Paesani

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aqueous Systems ◽

Dynamics Simulations

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ChemInform Abstract: Molecular-Dynamics Simulations of Aqueous Systems

10.1002/chin.199041354 ◽

1990 ◽

Vol 21 (41) ◽

Author(s):

K. HEINZINGER

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aqueous Systems ◽

Dynamics Simulations

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Effect of Electric Potential and Chain Length on Tribological Performances of Ionic Liquids as Additives for Aqueous Systems and Molecular Dynamics Simulations

ACS Applied Materials & Interfaces ◽

10.1021/acsami.0c11016 ◽

2020 ◽

Vol 12 (35) ◽

pp. 39910-39919 ◽

Author(s):

Rui Dong ◽

Luyao Bao ◽

Qiangliang Yu ◽

Yang Wu ◽

Zhengfeng Ma ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulations ◽

Chain Length ◽

Electric Potential ◽

Aqueous Systems ◽

Dynamics Simulations

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

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Molecular Dynamics Simulations of Retrograde Condensation in Nanoporous Shale

Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Author(s):

William R. Welch ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Retrograde Condensation ◽

Dynamics Simulations

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