Search Results - "Shivpuje, Saurabh"

TPMD toolkit: A toolkit for studying rate processes using molecular dynamics trajectories and performing temperature programmed molecular dynamics calculations by Shivpuje, Saurabh, Chatterjee, Abhijit

“…A set of basic components needed for the analysis of state-to-state transitions in molecular dynamics (MD) trajectories is provided in the form of a toolkit…”
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An algorithm for estimating kinetic parameters of atomistic rare events using finite-time temperature programmed molecular dynamics trajectories by Shivpuje, Saurabh, Kumawat, Manish, Chatterjee, Abhijit

“…A new variation of the temperature programmed molecular dynamics (TPMD) algorithm, called finite-time TPMD (FT-TPMD), is presented. In this variation, a…”
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Accelerating rare events using temperature programmed molecular dynamics: a review by Shivpuje, Saurabh, Jaipal, Methary, Chatterjee, Abhijit

“…Uncovering the atomic scale mechanisms and their rate constants is often the first step towards understanding the dynamical behaviour of a material. Over the…”
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Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations by Wang, Yuchen, Mulvihill, Ellen, Hu, Zixuan, Lyu, Ningyi, Shivpuje, Saurabh, Liu, Yudan, Soley, Micheline B., Geva, Eitan, Batista, Victor S., Kais, Sabre

“…We present a quantum algorithm based on the generalized quantum master equation (GQME) approach to simulate open quantum system dynamics on noisy…”
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Designing Variational Ansatz for Quantum‐Enabled Simulation of Non‐Unitary Dynamical Evolution ‐ An Excursion into Dicke Supperradiance by Shivpuje, Saurabh, Sajjan, Manas, Wang, Yuchen, Hu, Zixuan, Kais, Sabre

“…Abstract Adaptive Variational Quantum Dynamics (AVQD) algorithms offer a promising approach to providing quantum‐enabled solutions for systems treated within…”
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Designing variational ansatz for quantum-enabled simulation of non-unitary dynamical evolution -- an excursion into Dicke supperradiance by Shivpuje, Saurabh, Sajjan, Manas, Wang, Yuchen, Hu, Zixuan, Kais, Sabre

“…Adaptive Variational Quantum Dynamics (AVQD) algorithms offer a promising approach to providing quantum-enabled solutions for systems treated within the…”
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Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations by Wang, Yuchen, Mulvihill, Ellen, Hu, Zixuan, Lyu, Ningyi, Shivpuje, Saurabh, Liu, Yudan, Soley, Micheline B, Geva, Eitan, Batista, Victor S, Kais, Sabre

“…Journal of Chemical Theory and Computation 2023 19 (15), 4851-4862 We present a quantum algorithm based on the Generalized Quantum Master Equation (GQME)…”
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