Vishikh Athavale
9PUBLICATIONS
20CO-AUTHORS
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Publications (9)
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|Feb 19, 2026
High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing Units.Vishikh Athavale, Maksim Kulichenko, Sebastian Fernandez-Alberti
|Jan 27, 2026
Ground and excited state gradients with end-to-end differentiable semiempirical quantum chemistry.Vishikh Athavale, Maksim Kulichenko, Nikita Fedik
|Sep 25, 2025
PYSEQM 2.0: Accelerated Semiempirical Excited-State Calculations on Graphical Processing Units.Vishikh Athavale, Nikita Fedik, William Colglazier
|Aug 27, 2025
A Theory of Ultrafast Charge Transfer Relaxation with Non-Innocent Solvent Molecules.Vishikh Athavale, D Vale Cofer-Shabica, Joseph E Subotnik
|Jul 09, 2025
Evaluating the gradients of localized diabatic state energies and couplings at minimum cost.Vishikh Athavale, Joseph E Subotnik, Tian Qiu
|Dec 21, 2023
To guess or not to guess excited state amplitudes during optimization and dynamics.D Vale Cofer-Shabica, Vishikh Athavale, Joseph E Subotnik
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Frequent Collaborators
5 joint publications
Joseph Subotnik
3 joint publications
Sergei Tretiak
2 joint publications
Sebastian Fernandez-Alberti
2 joint publications
Nikita Fedik
2 joint publications
Anders M N Niklasson
2 joint publications
Maksim Kulichenko
2 joint publications
D Vale Cofer-Shabica
2 joint publications
Tian Qiu
1 joint publications
Junhan Chen
1 joint publications
Zuxin Jin
