Molecular dynamics simulations of sodium silicate glasses: Optimization and limits of the computational procedure

Pota, M. / Pedone, A. / Malavasi, G. et al. | British Library Online Contents | 2010

From periodic DFT calculations to classical molecular dynamics simulations

Hernández, N. C. / Sanz, J. F. | British Library Online Contents | 2006

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

Mitrokhin, Y. | British Library Online Contents | 2006

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

Classical molecular dynamics simulations of crystal lattices with truncated Taylor series-based interatomic potentials

Kshirsagar, S. / Mandadapu, K. K. / Papadopoulos, P. | British Library Online Contents | 2016