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The Skinner research group has been interested in the structure and dynamics of condensed phase systems, and in particular, in the theory of time-dependent phenomena in liquids. Experimentally, one important approach for determining the structure and dynamics of condensed matter involves linear and non-linear vibrational spectroscopy. Typically, such spectroscopy contains information about local molecular environments, whose extraction, however, usually requires theoretical models and their solutions. In order to accomplish this, we use ab initio calculations, molecular dynamics simulations, statistical mechanics, and basically any theoretical approach that will enable us to further our understanding. The systems we are working on include water, peptides and proteins, interfaces, membranes etc.
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Proceedings of the National Academy of Sciences of the United States of Americano. 45 (2023)
Chemical Reviewsno. 21 (2021): 13698-13698
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