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Computational molecular sciences hold an important position today in chemical and material discovery. With the advent of quantum computing and machine learning, the field is at the junction of another transformation. Asthana group is interested in developing new ab initio methods for predictive computational molecular sciences, specifically, electronic structure theory using upcoming quantum computers and current machine learning techniques. We bridge age-old wisdom in quantum chemistry with new-age technology.
2021 PhD, Theoretical Chemistry, Johns Hopkins University
2016 BS-MS dual degree, Chemistry, Indian Institute of Technology Kanpur
2021-23 Postdoctoral Research Associate, Virginia Tech