Utilization of High-Performance Graphics Computers in the Undergraduate Chemistry Curriculum

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Since computer-based methods such as molecular mechanics, molecular dynamics, Monte Carlo techniques, computational reaction dynamics and computational quantum mechanics continue to grow in popularity among researchers both in academia and industry, it is becoming more important to introduce these methods, both in concept and in practice, at the undergraduate level. Acquisition of two high-speed computer workstations is permitting an adjustment to the upper-division chemistry curriculum so as to include introductions to these methods for all chemistry majors. This project enhances the undergraduate chemistry experience through (1) modification of existing courses, (2) development of a suite of interconnected and computationally oriented independent study course options, and (3) computational support for undergraduate research opportunities. Implementation of this project is raising the appreciation of all chemistry majors for the range of computational methods applicable to chemical problems. Curricular enhancements developed in the course the project will be communicated to the chemical education community through presentations at appropriate meetings and publications. *