| Machine-learning coupled cluster properties through a density tensor representation BG Peyton, C Briggs, R D’Cunha, JT Margraf, TD Crawford The Journal of Physical Chemistry A 124 (23), 4861-4871, 2020 | 28 | 2020 |
| Dihydrochelerythrine and its derivatives: Synthesis and their application as potential G-quadruplex DNA stabilizing agents R Malhotra, C Rarhi, KV Diveshkumar, R Barik, R D’cunha, P Dhar, ... Bioorganic & Medicinal Chemistry 24 (13), 2887-2896, 2016 | 22 | 2016 |
| Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory R D’Cunha, TD Crawford, M Motta, JE Rice The Journal of Physical Chemistry A 127 (15), 3437-3448, 2023 | 21 | 2023 |
| Modeling complex solvent effects on the optical rotation of chiral molecules: a combined molecular dynamics and density functional theory study R D’Cunha, TD Crawford The Journal of Physical Chemistry A 125 (15), 3095-3108, 2021 | 19 | 2021 |
| Pno++: Perturbed pair natural orbitals for coupled cluster linear response theory R D’Cunha, TD Crawford Journal of Chemical Theory and Computation 17 (1), 290-301, 2020 | 13 | 2020 |
| State preparation in quantum algorithms for fragment-based quantum chemistry R D’Cunha, M Otten, MR Hermes, L Gagliardi, SK Gray Journal of Chemical Theory and Computation 20 (8), 3121-3130, 2024 | 7 | 2024 |
| The localized active space method with unitary selective coupled cluster A Mitra, R D’Cunha, Q Wang, MR Hermes, Y Alexeev, SK Gray, M Otten, ... Journal of chemical theory and computation 20 (18), 7865-7875, 2024 | 4 | 2024 |
| Applications of a perturbation-aware local correlation method to coupled cluster linear response properties R D'Cunha, TD Crawford Molecular Physics 121 (9-10), e2112627, 2023 | 3 | 2023 |
| Accuracy assessment of variational quantum computing ansatze across a database of electronic structure problems R D'Cunha, TD Crawford, M Motta, JE Rice arXiv e-prints, arXiv: 2208.09832, 2022 | 2 | 2022 |
| Fragment-based initialization for quantum subspace methods R D'Cunha, CL Cortes, L Gagliardi, SK Gray Physical Review A 110 (4), 042613, 2024 | | 2024 |
| Potential pitfalls in the use of quantum computing hardware-efficient Ansatze in electronic structure theory R D'cunha, M Motta, TD Crawford, J Rice American Chemical Society (ACS) Fall Meeting, 2023 | | 2023 |
| Perturbed pair natural orbitals for coupled cluster linear response theory R D'Cunha, TD Crawford American Chemical Society SciMeetings 1 (2), 2020 | | 2020 |
