scholarly journals Introduction to Molecular Dynamics Simulations: Applications in Hard and Soft Condensed Matter Physics

10.5772/36289 ◽  
2012 ◽  
Author(s):  
Martin Oliver
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Condensed Matter ◽  
Condensed Matter Physics ◽  
Soft Condensed Matter ◽  
Dynamics Simulations

Molecular dynamics simulations of the relaxation processes in the condensed matter on GPUs

2011 ◽  
Vol 182 (9) ◽  
pp. 1974-1978 ◽  
Author(s):  
I.V. Morozov ◽  
A.M. Kazennov ◽  
R.G. Bystryi ◽  
G.E. Norman ◽  
V.V. Pisarev ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Condensed Matter ◽  
Relaxation Processes ◽  
Dynamics Simulations

Nosé-Hoover Molecular Dynamics Simulations of the Pipe-Diffusion Mechanism in Gold Using Many-Atom Forces

1991 ◽  
Vol 02 (01) ◽  
pp. 272-275
Author(s):  
J. VON BOEHM ◽  
R.M. NIEMINEN
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Condensed Matter ◽  
Diffusion Mechanism ◽  
Equations Of Motion ◽  
Pipe Diffusion ◽  
Preliminary Results ◽  
Dynamics Simulations ◽  
Low Symmetry

This paper presents: a) A generalization of the velocity-Verlet algorithm to solve the Nosé-Hoover equations of motion. b) A method to follow vacancies in low symmetry condensed matter systems. c) Some preliminary results on the pipe-diffusion mechanism in gold.

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