Fulmer 201

Molecular Theory and Modeling at Pacific Northwest National Laboratory

Presented by Greg Schenter
Laboratory Fellow
Pacific Northwest National Laboratory

Abstract
I will provide an overview of the Molecular Theory and Modeling group at Pacific Northwest National Laboratory that spans 30 years of effort. I will describe the genesis and evolution of the effort starting from the early days of the Molecular Science Research Center, becoming the Environmental Molecular Sciences Laboratory and branching off into programmatic efforts in Condensed Phase Physical Chemistry, Hydrogen Storage, Catalysis and Material Sciences. I will highlight current efforts with the IDREAM Energy Frontier Research Center where once again, “sludge is fun”. I will highlight some of the unifying themes of my research that include developments in the art of molecular simulation, the role of quantum mechanics of both electrons and nuclei, statistical mechanics sampling and the value of collaborating with talented experimentalists. By reflecting on the past, I can provide a small window on the future of physical science research.