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Raghunathan Ramakrishnan
Quantum Chemistry and Chemical Compound Space Design
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.
Project MolDis
MolDis, our big data analytics platform for MOLecular DIScovery is now open for public access. Please click the logo below for more details.
