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Raghunathan Ramakrishnan<\/p>\n
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<\/span><\/p>\n Quantum Chemistry and Chemical Compound Space Design<\/strong><\/span><\/p>\n <\/span><\/p>\n My research combines quantum chemistry, high-throughput computation, and machine learning to explore chemical compound space and design molecules with useful properties. Computational NMR is a particular focus, including how molecular structure and conformation affect chemical shifts. I am also interested in applications of quantum mechanics to molecular problems and in mathematical modeling of biological systems, including neural circuits.<\/p>\n