共 50 条
- [21] First-principles molecular-dynamics simulations of a hydrous silica melt:: Hydrogen diffusion mechanisms and electronic properties NSTI NANOTECH 2004, VOL 3, TECHNICAL PROCEEDINGS, 2004, : 73 - 76
- [22] FREE-ENERGIES OF POINT-DEFECTS IN SODIUM FROM FIRST-PRINCIPLES MOLECULAR-DYNAMICS SIMULATIONS PHYSICAL REVIEW B, 1995, 51 (01): : 129 - 136
- [23] Extending the accuracy and scale of first-principles molecular dynamics simulations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
- [25] Equilibration and analysis of first-principles molecular dynamics simulations of water JOURNAL OF CHEMICAL PHYSICS, 2018, 148 (12):
- [26] First-principles and molecular dynamics simulations of methane adsorption on graphene CARBON NANOTUBES: FROM BASIC RESEARCH TO NANOTECHNOLOGY, 2006, 222 : 209 - +
- [29] POLYMERIZED C-60 STUDIED BY FIRST-PRINCIPLES MOLECULAR-DYNAMICS PHYSICAL REVIEW B, 1994, 50 (23): : 17471 - 17479