Rappé Research Group

We are a computational chemistry group based at Colorado State University that utilizes DFT, ab initio, and molecular mechanical techniques. We have dedicated the past 35 years to the development of theoretical methods to explore the origin of a diverse series of complex chemical phenomena. This has led to the release of the pervasive Universal Force Field (UFF), a molecular mechanics model defined solely by element, hybridization, and connectivity. Our collaborations are deeply rooted in the chemical community, spanning across academic and industrial institutions. Our innate enthusiasm constantly pushes us into the bleeding edge of fundamental chemical understanding.

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