Minnesota Computational Chemistry
( The MC2 Group )

 
Chris Cramer
"We Model Everything."
Laura Gagliardi
Development of multiconfigurational quantum chemical methods: modeling of systems containing heavy elements; electronic spectroscopy; new molecules and novel chemical bonds; combining quantum chemistry and molecular dynamics to simulate highly charged ions in solution. Development of the MOLCAS package.


(Professor Laura Gagliardi will move permanently to the University of Minnesota in January 2009. New PhD students are welcome to join her group starting from January 2009. She will be in the Twin Cities at several occasions during the summer and fall 2008. People who are potentially interested in joining her group are welcome to email her in order to set up a date for a meeting.)
Jiali Gao
Molecular simulation, hybrid QM/MM methods, enzyme reactions.
Ilja Siepmann
Monte Carlo algorithms, transferable potentials for phase equilibria, supercritical fluid extraction, chromatography.
Don Truhlar
Quantum mechanical effects in reaction dynamics, quantum photochemistry, quantum thermochemistry, multi-scale methods, solvation, simulations, environmental and biological chemistry, catalysis, combustion, nanoscience, neurochemistry.
Darrin York
Linear-scaling electronic structure, hybrid QM/MM, many-body force fields, molecular simulation, enzyme reactions.