Gate-free state preparation for fast variational quantum eigensolver simulations OR Meitei, BT Gard, GS Barron, DP Pappas, SE Economou, E Barnes, ... npj Quantum Information 7 (1), 155, 2021 | 53 | 2021 |
Molecular energies from an incremental fragmentation method OR Meitei, A Heßelmann The Journal of Chemical Physics 144 (8), 2016 | 26 | 2016 |
Intramolecular interactions in sterically crowded hydrocarbon molecules OR Meitei, A Heßelmann Journal of Computational Chemistry 38 (29), 2500-2508, 2017 | 19 | 2017 |
Conformation controlled turn on–turn off phosphorescence in a metal-free biluminophore: thriving the paradox that exists for organic compounds R Joshi, OR Meitei, M Jadhao, H Kumar, SK Ghosh Physical Chemistry Chemical Physics 18 (40), 27910-27920, 2016 | 19 | 2016 |
Surfactant induced aggregation–disaggregation of photodynamic active chlorin e6 and its relevant interaction with DNA alkylating quinone in a biomimic micellar microenvironment M Jadhao, P Ahirkar, H Kumar, R Joshi, OR Meitei, SK Ghosh RSC advances 5 (99), 81449-81460, 2015 | 18 | 2015 |
On the stability of cyclophane derivates using a molecular fragmentation method OR Meitei, A Heßelmann ChemPhysChem 17 (23), 3863-3874, 2016 | 16 | 2016 |
Design, synthesis, and proticity inclined conformational modulation in a highly fluorescent bichromophoric naphthalimide derivative: hint directed from RICT perspective R Joshi, OR Meitei, H Kumar, M Jadhao, SK Ghosh The Journal of Physical Chemistry A 120 (7), 1000-1011, 2016 | 15 | 2016 |
ESIPT reaction of potential bioactive heterocyclic Schiff base: atomic visualization coupled with in vitro spectroscopy M Jadhao, OR Meitei, R Joshi, H Kumar, C Das, SK Ghosh Journal of Photochemistry and Photobiology A: Chemistry 326, 41-49, 2016 | 12 | 2016 |
Spin–orbit matrix elements for a combined spin-flip and IP/EA approach OR Meitei, SE Houck, NJ Mayhall Journal of Chemical Theory and Computation 16 (6), 3597-3606, 2020 | 11 | 2020 |
Minimizing state preparation times in pulse-level variational molecular simulations A Asthana, C Liu, OR Meitei, SE Economou, E Barnes, NJ Mayhall arXiv preprint arXiv:2203.06818, 2022 | 10 | 2022 |
Geometry optimizations with the incremental molecular fragmentation method OR Meitei, A Heßelmann Journal of Theoretical and Computational Chemistry 17 (05), 1850037, 2018 | 10 | 2018 |
Spin-flip pair-density functional theory: A practical approach to treat static and dynamical correlations in large molecules OR Meitei, NJ Mayhall Journal of Chemical Theory and Computation 17 (5), 2906-2916, 2021 | 5 | 2021 |
Gate-free state preparation for fast variational quantum eigensolver simulations. npj Quantum Inf. 7 OR Meitei, BT Gard, GS Barron, DP Pappas, SE Economou, E Barnes, ... | 5 | 2021 |
Periodic Bootstrap Embedding OR Meitei, T Van Voorhis Journal of Chemical Theory and Computation 19 (11), 3123-3130, 2023 | 4 | 2023 |
Intermolecular dispersion energies from coupled exact-exchange Kohn-Sham excitation energies and vectors A Hesselmann, OR Meitei Computational and Theoretical Chemistry 1129, 57-69, 2018 | 4 | 2018 |
Bootstrap embedding on a quantum computer Y Liu, OR Meitei, ZE Chin, A Dutt, M Tao, IL Chuang, T Van Voorhis Journal of Chemical Theory and Computation 19 (8), 2230-2247, 2023 | 3 | 2023 |
Leakage Reduces Device Coherence Demands for Pulse-Level Molecular Simulations A Asthana, C Liu, OR Meitei, SE Economou, E Barnes, NJ Mayhall Physical Review Applied 19 (6), 064071, 2023 | 2 | 2023 |
MP2-based composite extrapolation schemes can predict core-ionization energies for first-row elements with coupled-cluster level accuracy A Morgunov, HK Tran, OR Meitei, YC Chien, T Van Voorhis arXiv preprint arXiv:2403.06364, 2024 | | 2024 |
Electron correlation in 2D periodic systems OR Meitei, T Van Voorhis arXiv preprint arXiv:2308.06185, 2023 | | 2023 |
Fast state preparation for molecular simulation by direct pulse optimization: ctrl-VQE N Mayhall, O Meitei, D Pappas, B Gard, G Barron, E Barnes, S Economou APS March Meeting Abstracts 2022, F02. 003, 2022 | | 2022 |