Paper Citing NAMD - Abstract
Rikvold, P. A.; Abou Hamad, I.; Juwono, T.; Robb, D. T.; Novotny, M. A.
Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry
MODERN ASPECTS OF ELECTROCHEMISTRY, NO 44: MODELLING AND NUMERICAL SIMULATIONS II, Issue 44, 131-149, 2009
We present a brief survey of methods that utilize computer simulations and quantum and statistical mechanics in the analysis of electrochemical systems. The methods, molecular dynamics and Monte Carlo simulations and quantum-mechanical density-functional theory, are illustrated with examples from simulations of lithium-battery charging and electrochemical adsorption of bromine on single-crystal silver electrodes.
