First-Prin?ciples Simulation?s of Condensed Phases
- Conference: AIChE Annual Meeting
- Year: 2014
- Proceeding: 2014 AIChE Annual Meeting
- Type: Oral
- Room: 212
- Location: Hilton Atlanta
- Time: Thursday, November 20, 2014 - 12:30pm-3:00pm
Contributions on all aspects of using first-principles simulation approaches (e.g., ab initio molecular dynamics, lattice dynamics, first principles Monte Carlo) to computing properties of condensed phases.
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