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Applied Computing 4 Scientific Discovery

Ankur Gupta

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Ankur Kumar Gupta
Postdoctoral Fellow

I am a postdoctoral scholar in the Applied Computing for Scientific Discovery (ACSD) group at the Lawrence Berkeley National Laboratory (LBNL).

Others

Ankur K. Gupta, Benjamin C. Gamoke, Krishnan Raghavachari, Interaction–Deletion: A Composite Energy Method for the Optimization of Molecular Systems Selectively Removing Specific Nonbonded Interactions, The Journal of Physical Chemistry A, Pages: 4668-4682 2021, doi: 10.1021/acs.jpca.1c02918