537323 First Principles Monte Carlo Simulations of Adsorption and Reaction Equilibria

Evgenii Fetisov1, Mansi S. Shah2, Michael Tsapatsis3 and J. Ilja Siepmann1, (1)Department of Chemistry and Chemical Theory Center, University of Minnesota, Minneapolis, MN, (2)Department of Chemical Engineering & Materials Science, University of Minnesota, Minneapolis, MN, (3)Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, MN
See more of this Session: Recent Advances in Molecular Simulation Methods I
See more of this Group/Topical: Computational Molecular Science and Engineering Forum