J. Tersoff
Applied Surface Science
The application of ab initio molecular dynamics simulation to bulk molecular systems is reviewed with emphasis on the density functional treatment of intermolecular interactions. Examples discussed are water, hydrogen fluoride, benzene, and sulphuric acid.
J. Tersoff
Applied Surface Science
Surendra B. Anantharaman, Joachim Kohlbrecher, et al.
MRS Fall Meeting 2020
Fernando Marianno, Wang Zhou, et al.
INFORMS 2021
Julian J. Hsieh
Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films