Structure and dynamics of B2O3 melts and glasses: From ab initio to classical molecular dynamics simulations

Scherer, C. / Schmid, F. / Letz, M. et al. | British Library Online Contents | 2019

Comparison of simulations of liquid metals by classical and ab initio molecular dynamics

Mitrokhin, Y. | British Library Online Contents | 2006

Computational limits of classical molecular dynamics simulations

Plimpton, S. | British Library Online Contents | 1995

Microscopic structural evolution during elastic deformation of Fe65Mo14C15B6 amorphous alloy studied by ab initio molecular dynamics simulations

Wu, C. / Huang, Y. J. / Shen, J. | British Library Online Contents | 2012

Dynamical properties of deeply undercooled and amorphous systems: Combined classical and ab initio molecular dynamics simulations approaches

Jakse, N. / Pasturel, A. | British Library Online Contents | 2010