Shreyas Vijay Malpathak - Publications
Affiliations: | 2018- | Cornell University, Ithaca, NY, United States |
Year | Citation | Score | |||
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2024 | Malpathak S, Ananth N. Semiclassical dynamics in Wigner phase space II: Nonadiabatic hybrid Wigner dynamics. The Journal of Chemical Physics. 161. PMID 39234964 DOI: 10.1063/5.0223187 | 0.642 | |||
2024 | Malpathak S, Ananth N. Semiclassical dynamics in Wigner phase space I: Adiabatic hybrid Wigner dynamics. The Journal of Chemical Physics. 161. PMID 39234962 DOI: 10.1063/5.0223185 | 0.652 | |||
2024 | Malpathak S, Ananth N. A Linearized Semiclassical Dynamics Study of the Multiquantum Vibrational Relaxation of NO Scattering from a Au(111) Surface. The Journal of Physical Chemistry Letters. 794-801. PMID 38232133 DOI: 10.1021/acs.jpclett.3c03041 | 0.55 | |||
2023 | Malpathak S, Ananth N. Non-linear correlation functions and zero-point energy flow in mixed quantum-classical semiclassical dynamics. The Journal of Chemical Physics. 158: 104106. PMID 36922136 DOI: 10.1063/5.0133222 | 0.655 | |||
2022 | Malpathak S, Church MS, Ananth N. A Semiclassical Framework for Mixed Quantum Classical Dynamics. The Journal of Physical Chemistry. A. PMID 36070472 DOI: 10.1021/acs.jpca.2c03467 | 0.572 | |||
2019 | Jayee B, Malpathak S, Ma X, Hase WL. Is CHNC isomerization an intrinsic non-RRKM unimolecular reaction? The Journal of Chemical Physics. 151: 184110. PMID 31731854 DOI: 10.1063/1.5126805 | 0.323 | |||
2018 | Malpathak S, Ma X, Hase WL. Addressing an instability in unrestricted density functional theory direct dynamics simulations. Journal of Computational Chemistry. PMID 30368835 DOI: 10.1002/Jcc.25604 | 0.33 | |||
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