Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session U45: Computational Methods for Statistical Mechanics: Advances and Applications III
2:30 PM–5:30 PM,
Thursday, March 5, 2020
Sponsoring Units: DCOMP GSNP
Chair: Ying Wai Li, Los Alamos National Laboratory
Abstract: U45.00001 : Clusters and Surfaces in Reactive Atmospheres at Realistic Conditions: Beyond the Static, Monostructure Description*
Applications to gold and metal-oxide nanoclusters, and silicon surfaces, described with first-principles potential-energy surfaces, will demonstrate the insight gained by the direct access to observables at finite temperature and pressure.
*European Unions Horizon 2020 research and innovation program (No. 676580: the NOMAD Laboratory and European Center of Excellence and No. 740233: TEC1p) and the Leibniz ScienceCampus GraFOx.
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