Minnesota Computational Chemistry ( The MC2 Group )

 

	Chris Cramer "We Model Everything." group
	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. group
	Jiali Gao Molecular simulation, hybrid QM/MM methods, enzyme reactions. group
	Ilja Siepmann Modeling of complex chemical systems by particle-based simulations. Development of efficient Monte Carlo algorithms and of transferable force fields. Applications to microheterogeneous fluids, green solvents, chromatographic systems, pharmaceutical solids, Earth materials, and atmospheric nucleation. group
	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. group
	Darrin York Linear-scaling electronic structure, hybrid QM/MM, many-body force fields, molecular simulation, enzyme reactions. group