AP
Apoorva Purohit
The Ohio State University, University of North Carolina at Chapel Hill, University at Buffalo, State University of New York, IIT Bombay, Los Alamos National Laboratory
0000-0003-0664-6972
Employment
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The Ohio State University2022 - 2025
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University of North Carolina at Chapel Hill2021 - 2022
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Los Alamos National Laboratory2019 - 2021
Education
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University at Buffalo, State University of New York PhD2015 - 2019
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IIT Bombay B.Tech+M.Tech2008 - 2013
Projects & Funding
Projects & funding information is unavailable.
Publications (11)
- Free energy calculations in molecular modeling: from classical methods to machine learning Save
- Structural and functional mechanisms underlying activation gate dynamics and IFM motif accessibility in human Nav1.5 Save
- Tuned Attention-Guided Fusion of Deep and Handcrafted Features for Distinguishing AI-Generated and Human-Created Artworks Save
- Benchmarking Alchemical Relative Binding Free Energy Calculations for Nucleotide Binding to Multimeric ATPases Save
- Structural basis of human Na v 1.5 gating mechanisms Save
- Absolute and Relative Binding Free Energy Calculations of Nucleotides to Multiple Protein Classes Save
- Kinetics of carbon condensation in detonation of high explosives: First-order phase transition theory perspective Save
- pyHMA: A VASP post-processor for precise measurement of crystalline anharmonic properties using harmonically mapped averaging Save
- Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties Save
- Force-sampling methods for density distributions as instances of mapped averaging Save