Results 291 to 300 of about 9,913,960 (313)

Review of Molecular Simulation Method for Gas Adsorption/desorption and Diffusion in Shale Matrix

Journal of Thermal Science, 2018
Hui Wang, Z. Qu, Ying Yin, J. Bai, Bo Yu
semanticscholar   +1 more source

Molecular Simulations

2020
openaire   +1 more source

Nonequilibrium Gas Dynamics and Molecular Simulation

, 2017
I. Boyd, T. Schwartzentruber
semanticscholar   +1 more source

Molecular Dynamics Simulation

2017
openaire   +1 more source

Molecular dynamics simulations

2021
Hemant Arya, Tarun Kumar Bhatt
openaire   +1 more source

Validation of Molecular Simulation: An Overview of Issues.

Angewandte Chemie, 2018
W. V. van Gunsteren, X. Daura, Niels Hansen, A. Mark, C. Oostenbrink, Sereina Riniker, Lorna J. Smith   +6 more
semanticscholar   +1 more source

Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium.

Physical Review B (Condensed Matter), 1994
G. Kresse, J. Hafner
semanticscholar   +1 more source

Molecular Simulation

2008
openaire   +1 more source

Molecular Dynamics Simulations

2023
openaire   +1 more source

Computation of elastic constants of solids using molecular simulation: comparison of constant volume and constant pressure ensemble methods

, 2017
G. Clavier, N. Desbiens, E. Bourasseau, V. Lachet, N. Brusselle-Dupend, B. Rousseau   +5 more
semanticscholar   +1 more source