Molecular Dynamics in Nanoporous Materials using Density Functional Theory.
Conference
·
OSTI ID:1506567
Abstract not provided.
- Research Organization:
- Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1506567
- Report Number(s):
- SAND2018-3466PE; 662013
- Country of Publication:
- United States
- Language:
- English
Similar Records
Using molecular dynamics density functional theory to develop Equation of State models.
Accurate Rankine-Hugoniot relationships for molecular crystal explosives calculated using density functional theory based molecular dynamics.
Smart use of Density Functional Theory calculations to drive Newtonian dynamics.
Conference
·
Mon Feb 29 23:00:00 EST 2016
·
OSTI ID:1514406
Accurate Rankine-Hugoniot relationships for molecular crystal explosives calculated using density functional theory based molecular dynamics.
Conference
·
Tue Nov 01 00:00:00 EDT 2011
·
OSTI ID:1118455
Smart use of Density Functional Theory calculations to drive Newtonian dynamics.
Conference
·
Thu Oct 01 00:00:00 EDT 2015
·
OSTI ID:1338009