| 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 | 23 | 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 | 18 | 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 | 16 | 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 | 11 | 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 | 11 | 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 | 10 | 2020 |
| 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 | 5 | 2023 |
| 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 | 5 | 2022 |
| 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 | 4 | 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 | 2 | 2000 |
| 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 | | 2024 |
| Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems V Agarawal, D King, MR Hermes, L Gagliardi arXiv preprint arXiv:2403.15495, 2024 | | 2024 |
Rahul MaitraAssociate Professor, Indian Institute of Technology BombayVerified email at chem.iitb.ac.in
