Dr. Xinyou Ma

Xinyou Ma's Google Scholar Profile

I am a postdoctoral scholar in Prof. Gregory A. Voth's lab at the University of Chicago. Before coming to U Chicago, I did my PhD training in Prof. William L. Hase's lab at Texas Tech University. My research field covers a range of topics in theoretical chemistry from gas phase to condensed phase, such as: studying the reaction dynamics, chemical kinetics, and reaction mechanism in unimolecular and bi-molecular collision reactions with electronic structure theory, ab initio molecular dynamics, molecular dynamics simulation method, force field development, RRKM/TST theory and semiclassical theory. Recently, I am focusing on studying the confinement effect on proton solvation, transfer and transport in CNT and zeolite nanopores with free energy calculation, enhanced sampling methods, ab initio molecular dynamics method, and reactive molecular dynamics simulation method.