Applied Computing for Scientific Discovery

Ankur Gupta

CfDJ8Fkb4omzeJpPs PsZHsgwl1qa0mnI4yNTG0hHW3 otcqoni Pj3Ktuma7gxQw83Wmlzv5cxLR2natrtRAutF3GSzu 75PL6Am8TCXjH2rhCN4MO9WuIRA107YYpjbVoJZuXyDKV7fWwqZ48Kc7KWDBV4BSe 1BGMRAFZWePWEel

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