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3 molecular-dynamics-simulation Postdoctoral positions at Oak Ridge National Laboratory
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, molecular dynamics simulations using ab initio and machine-learning potentials, and the development or application of machine-learning tools for feature extraction, property prediction, and inverse molecular
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photo-bases. The work will focus on modeling of adiabatic and nonadiabatic photochemical processes to capture excited states dynamics using an array of ab initio molecular dynamics methods for excited
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-task efforts in molecular biology, NMR, dynamic nuclear polarization (DNP) and macromolecular crystallography, and collaboration with computational scientists developing ML and AI tools for molecular
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