Numerical implementation of the hyper-molecular dynamics method with examples applied to diffusion

Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

Volumn 180, Issue 1-4, 2001, Pages 130-138

  Sanz Navarro, C F ^a   Smith, Roger ^a  

^a LOUGHBOROUGH UNIVERSITY   (United Kingdom)

Author keywords

Bias potential; Diffusion processes; Hyper molecular dynamics; Long time scales; Rate of escape

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; DIFFUSION; EIGENVALUES AND EIGENFUNCTIONS; MATRIX ALGEBRA;

HYPER-MOLECULAR DYNAMICS (H-MD);

MOLECULAR DYNAMICS;

EID: 0035364977     PISSN: 0168583X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0168-583X(01)00407-4     Document Type: Conference Paper

References (15)