Research Groups

Our goal is to apply the principles of quantum mechanics and electronic structure theory to address problems in physical, organic, inorganic, and biological chemistry. High performance computers are used to solve the complex equations describing the system of interest, yielding predictions of structures, bonding, energetics, reactivity, and other physical properties

Science, Chemistry, Computational, Research Groups - McCammon, J. Andrew. Simulations of biochemical reactions in solution, in proteins, and at membrane interfaces through statistical and quantum mechanics (University of California at San Diego).

Science, Chemistry, Computational, Research Groups - van Gunsteren, Wilfred F.. Molecular dynamics simulations of biomolecular systems.