Molecular Modeling and Computational Chemistry in the Undergraduate Chemistry Curriculum

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Undergraduate students need to have skills in molecular modeling and computational chemistry (MM&CC) in order to compete in the job market and for graduate and professional schools. However, few undergraduate curricula offer hands on laboratory courses in MM&CC. This project provides for the coordinated integration of molecular modeling and computational chemistry into the undergraduate curriculum using modern computational technology. Models and experiments described in publications from Wavefunction, as well as in other commercial texts, are being adapted to create this integrated sequence. During the first year of the project, a laboratory course, "Molecular Modeling" is being introduced with a pre-requisite of sophomore-level organic chemistry. During the second year an additional advanced course,"Computational Chemistry," with a pre-requisite of junior-level physical chemistry is being introduced. Throughout the duration of the project, undergraduate research in MM&CC is being targeted and encouraged. In addition, but especially by the third year of the project, laboratory experiments in MM&CC are being designed and adapted for incorporation into existing experimental laboratories in organic, inorganic, physical and biochemistry. Through the integration of MM&CC technology into undergraduate education, life science, physics, and chemistry students attain greater preparedness to succeed in their chosen fields. In addition to an overall improvement in the quality of undergraduate chemical education, science faculty benefit from the exposure to the power and applicability of MM&CC techniques.