SM
Shreyas Malpathak
physics.chem-phquant-ph
On Valency
published · living versionsW_8mqdw7f7·v1 · currentpublished
Efficient Block Encodings of Vibrational Hamiltonians
with Shashank G. Mehendale, Ignacio Loaiza, Stepan Fomichev, Danial Motlagh +1
1 version
Preprints & journals
12 papers in the corpus · 2017–2025Trotter Simulation of Vibrational Hamiltonians on a Quantum Computer.41442044 · Malpathak, Shreyas, Kallullathil, Sangeeth Das, Loaiza, Ignacio et al.2026 · 4 citationsJournal of chemical theory and computation. 2026;22(1):95-119
Simulating Vibrational Dynamics on Bosonic Quantum Devices.39950938 · Malpathak, Shreyas, Kallullathil, Sangeeth Das, Izmaylov, Artur F2025 · 8 citationsThe journal of physical chemistry letters. 2025;16(8):1855-1864
Semiclassical dynamics in Wigner phase space I: Adiabatic hybrid Wigner dynamics.39234962 · Malpathak, Shreyas, Ananth, Nandini2024 · 3 citationsThe Journal of chemical physics. 2024;161(9)
Semiclassical dynamics in Wigner phase space II: Nonadiabatic hybrid Wigner dynamics.39234964 · Malpathak, Shreyas, Ananth, Nandini2024 · 2 citationsThe Journal of chemical physics. 2024;161(9)
A Linearized Semiclassical Dynamics Study of the Multiquantum Vibrational Relaxation of NO Scattering from a Au(111) Surface.38232133 · Malpathak, Shreyas, Ananth, Nandini2024 · 16 citationsThe journal of physical chemistry letters. 2024;15(3):794-801
Non-linear correlation functions and zero-point energy flow in mixed quantum-classical semiclassical dynamics.36922136 · Malpathak, Shreyas, Ananth, Nandini2023 · 6 citationsThe Journal of chemical physics. 2023;158(10):104106
A Semiclassical Framework for Mixed Quantum Classical Dynamics.36070472 · Malpathak, Shreyas, Church, Matthew S, Ananth, Nandini2022 · 17 citationsThe journal of physical chemistry. A. 2022;126(37):6359-6375
Is CH3NC isomerization an intrinsic non-RRKM unimolecular reaction?31731854 · Jayee, Bhumika, Malpathak, Shreyas, Ma, Xinyou et al.2019 · 5 citationsThe Journal of chemical physics. 2019;151(18):184110
Unimolecular Rate Constants versus Energy and Pressure as a Convolution of Unimolecular Lifetime and Collisional Deactivation Probabilities. Analyses of Intrinsic Non-RRKM Dynamics.30793913 · Malpathak, Shreyas, Hase, William L2019 · 7 citationsThe journal of physical chemistry. A. 2019;123(10):1923-1928
Addressing an instability in unrestricted density functional theory direct dynamics simulations.30368835 · Malpathak, Shreyas, Ma, Xinyou, Hase, William L2019 · 3 citationsJournal of computational chemistry. 2019;40(8):933-936
Direct dynamics simulations of the unimolecular dissociation of dioxetane: Probing the non-RRKM dynamics.29716233 · Malpathak, Shreyas, Ma, Xinyou, Hase, William L2018 · 15 citationsThe Journal of chemical physics. 2018;148(16):164309
Transition-Metal-Free C-H Hydroxylation of Carbonyl Compounds.28649835 · Chaudhari, Moreshwar B, Sutar, Yogesh, Malpathak, Shreyas et al.2018 · 94 citationsOrganic letters. 2017;19(13):3628-3631
Career total: 15 works. 12 are in this corpus.
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