A Center for Computational Chemistry

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A computational chemistry facility has been established at Harvey Mudd College which allows the offering of a laboratory course in quantum chemistry. Students in chemistry and chemical physics have broad backgrounds in physics and mathematics which make this course accessible. This course broadens the undergraduate experience of students interested intheory and will acquaint students having experimental interests with a range of theoretical methods that are frequently used in the literature. In addition, several of the faculty have theoretical components to their research which involve undergraduates. The computational facility will greatly enhance the opportunities for theoretical work by undergraduates in the areas of ab initio quantum chemistry, numerical simulations of electrochemical processes, and statistical mechanics. The institution is matching the NSF grant with an equal amount of funds.