A critical study of the parameters governing molecular dynamics simulations of nanostructured materials

Critical Study ◽

Molecular Dynamics Simulations of Ionic Motions: Dynamic Heterogeneity as a Basis of Studies of Nanostructured Materials

Molecular Dynamics of Nanostructures and Nanoionics ◽

10.1201/9781003044901-5 ◽

2020 ◽

pp. 119-157

Author(s):

Junko Habasaki

Keyword(s):

Molecular Dynamics ◽

Dynamic Heterogeneity ◽

Multimillion Atom Molecular-Dynamics Simulations of Nanostructured Materials and Processes on Parallel Computers

Handbook of Materials Modeling ◽

10.1007/978-1-4020-3286-8_46 ◽

2005 ◽

pp. 875-928

Author(s):

Priya Vashishta ◽

Rajiv K. Kalia ◽

Aiichiro Nakano

Keyword(s):

Molecular Dynamics ◽

Parallel Computers ◽

Multimillion Atom Molecular-Dynamics Simulations of Nanostructured Materials and Processes on Parallel Computers

Handbook of Materials Modeling ◽

10.1007/1-4020-3286-2_46 ◽

2005 ◽

pp. 875-928

Author(s):

Priya Vashishta ◽

Rajiv K. Kalia ◽

Aiichiro Nakano

Keyword(s):

Molecular Dynamics ◽

Parallel Computers ◽

Molecular Dynamics Simulations of Strain Engineering and Thermal Transport in Nanostructured Materials

Computing in Science & Engineering ◽

10.1109/mcse.2010.44 ◽

2010 ◽

Vol 12 (2) ◽

pp. 36-42

Author(s):

Yumi Park ◽

Ya Zhou ◽

Janam Jhaveri ◽

Alejandro Strachan

Keyword(s):

Molecular Dynamics ◽

Thermal Transport ◽

Strain Engineering ◽

Multiscale Molecular Dynamics Simulations of Nanostructured Materials

THERMEC 2006 - Materials Science Forum ◽

10.4028/0-87849-428-6.2804 ◽

2007 ◽

pp. 2804-2809

Author(s):

Kenij Tsuruta ◽

Atsushi Uchida ◽

Chieko Totsuji ◽

Hiroo Totsuji

Keyword(s):

Molecular Dynamics ◽

Multiresolution algorithms for massively parallel molecular dynamics simulations of nanostructured materials

Computer Physics Communications ◽

10.1016/s0010-4655(99)00539-1 ◽

2000 ◽

Vol 128 (1-2) ◽

pp. 245-259 ◽

Cited By ~ 11

Author(s):

Rajiv K. Kalia ◽

Timothy J. Campbell ◽

Alok Chatterjee ◽

Aiichiro Nakano ◽

Priya Vashishta ◽

...

Keyword(s):

Molecular Dynamics ◽

Massively Parallel ◽

Parallel Molecular Dynamics ◽

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 ◽

Ab Initio Molecular Dynamics ◽

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 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

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 ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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 ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽