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We are a Theoretical and Computational Chemistry group interested in designing new generation of sustainable energy resources. This puts our research efforts in the junction of Computer Science, Quantum Chemistry, and Materials Science. On one hand, we develop novel quantum dynamics methods for accurate description of quantum dynamics of proton and electron at the heart of photoinduced energy conversion reactions. On the other hand, we develop new theories and corresponding computational schemes to investigate charge transfer reactions in condensed phase. We aspire to efficiently map out quantum mechanical phenomena in the context of classical environments, to develop accurate but efficient computational schemes and to produce transferable theories for explaining these phenomena in a spectrum of media.

We sincerely appreciate our funding supports from: