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

Computational limits of classical molecular dynamics simulations

Plimpton, S. | British Library Online Contents | 1995

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

Structure of layered C~6~0 on Si(100) surface studied by ab initio and classical molecular dynamics simulations

Kawazoe, Y. / Maruyama, Y. / Rafii-Tabar, H. et al. | British Library Online Contents | 1993

Ab initio and classical simulations of defects in SrTiO3

Astala, R. / Bristowe, P. D. | British Library Online Contents | 2001