Valay Agarawal
Valay Agarawal
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Periodic density matrix embedding for co adsorption on the mgo (001) surface
A Mitra, MR Hermes, M Cho, V Agarawal, L Gagliardi
The Journal of Physical Chemistry Letters 13 (32), 7483-7489, 2022
Total Synthesis of the Meroterpenoid Manginoid A as Fueled by a Challenging Pinacol Coupling and Bicycle‐forming Etherification
YA Zhang, A Milkovits, V Agarawal, CA Taylor, SA Snyder
Angewandte Chemie 133 (20), 11227-11232, 2021
Accelerating coupled cluster calculations with nonlinear dynamics and supervised machine learning
V Agarawal, S Roy, A Chakraborty, R Maitra
The Journal of Chemical Physics 154 (4), 2021
Iterative quantum phase estimation with variationally prepared reference state
D Halder, VS Prasannaa, V Agarawal, R Maitra
International Journal of Quantum Chemistry 123 (3), e27021, 2023
An approximate coupled cluster theory via nonlinear dynamics and synergetics: The adiabatic decoupling conditions
V Agarawal, C Patra, R Maitra
The Journal of Chemical Physics 155 (12), 2021
Stability analysis of a double similarity transformed coupled cluster theory
V Agarawal, A Chakraborty, R Maitra
The Journal of Chemical Physics 153 (8), 2020
A hybrid coupled cluster–machine learning algorithm: Development of various regression models and benchmark applications
V Agarawal, S Roy, KK Shrawankar, M Ghogale, S Bharathi, A Yadav, ...
The Journal of Chemical Physics 156 (1), 2022
A synergistic approach towards optimization of coupled cluster amplitudes by exploiting dynamical hierarchy
C Patra, V Agarawal, D Halder, A Chakraborty, D Mondal, S Halder, ...
ChemPhysChem 24 (4), e202200633, 2023
Digital quantum simulation of strong correlation effects with iterative quantum phase estimation over the variational quantum eigensolver algorithm: on a circle as …
D Halder, V Agarawal, R Maitra
arXiv preprint arXiv:2110.02864, 2021
EMI mitigation in power electronic circuits operating at high power factor
M Joshi, V Agarawal
Proceedings of IEEE International Conference on Industrial Technology 2000 …, 2000
Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
V Agarawal, DS King, MR Hermes, L Gagliardi
Journal of Chemical Theory and Computation, 2024
Exploring the computational aspects of propylene oligomerization catalysis using Fe2M type trimetallic MOF nodes
R Khurana, V Agarawal, C Liu
Distinguishing homolytic vs heterolytic bond dissociation of phenylsulfonium cations with localized active space methods
Q Wang, V Agarawal, MR Hermes, M Motta, JE Rice, GO Jones, ...
The Journal of Chemical Physics 161 (1), 2024
Distinguishing homolytic versus heterolytic bond dissociation of phenyl sulfonium cations with localized active space methods
Q Wang, V Agarawal, MR Hermes, M Motta, JE Rice, GO Jones, ...
arXiv preprint arXiv:2404.14512, 2024
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