| Accurate thermochemistry from a parameterized coupled-cluster singles and doubles model and a local pair natural orbital based implementation for applications to larger systems LMJ Huntington, A Hansen, F Neese, M Nooijen The Journal of Chemical Physics 136 (6), 2012 | 91 | 2012 |
| pCCSD: Parameterized coupled-cluster theory with single and double excitations LMJ Huntington, M Nooijen The Journal of chemical physics 133 (18), 2010 | 69 | 2010 |
| Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure M Nooijen, O Demel, D Datta, L Kong, KR Shamasundar, V Lotrich, ... The Journal of Chemical Physics 140 (8), 2014 | 64 | 2014 |
| Optimizing electronic structure simulations on a trapped-ion quantum computer using problem decomposition Y Kawashima, E Lloyd, MP Coons, Y Nam, S Matsuura, AJ Garza, S Johri, ... Communications Physics 4 (1), 245, 2021 | 58* | 2021 |
| Benchmark applications of variations of multireference equation of motion coupled-cluster theory LMJ Huntington, O Demel, M Nooijen Journal Of Chemical Theory and Computation 12 (1), 114-132, 2016 | 36 | 2016 |
| Application of multireference equation of motion coupled-cluster theory to transition metal complexes and an orbital selection scheme for the efficient calculation of … LMJ Huntington, M Nooijen The Journal of Chemical Physics 142 (19), 2015 | 32 | 2015 |
| A toolchain for the automatic generation of computer codes for correlated wavefunction calculations M Krupička, K Sivalingam, L Huntington, AA Auer, F Neese Journal of Computational Chemistry 38 (21), 1853-1868, 2017 | 28 | 2017 |
| Scaling up electronic structure calculations on quantum computers: The frozen natural orbital based method of increments P Verma, L Huntington, MP Coons, Y Kawashima, T Yamazaki, ... The Journal of Chemical Physics 155 (3), 2021 | 26 | 2021 |
| Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems LMJ Huntington, M Krupička, F Neese, R Izsák The Journal of Chemical Physics 147 (17), 2017 | 22 | 2017 |
| VanQver: the variational and adiabatically navigated quantum eigensolver S Matsuura, T Yamazaki, V Senicourt, L Huntington, A Zaribafiyan New Journal of Physics 22 (5), 053023, 2020 | 17 | 2020 |
| Application of the multireference equation of motion coupled cluster method, including spin–orbit coupling, to the atomic spectra of Cr, Mn, Fe and Co Z Liu, LMJ Huntington, M Nooijen Molecular Physics 113 (19-20), 2999-3013, 2015 | 15 | 2015 |
| An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials A Sen, B de Souza, LMJ Huntington, M Krupička, F Neese, R Izsák The Journal of Chemical Physics 149 (11), 2018 | 11 | 2018 |
| Tangelo: An open-source python package for end-to-end chemistry workflows on quantum computers V Senicourt, J Brown, A Fleury, R Day, E Lloyd, MP Coons, K Bieniasz, ... arXiv preprint arXiv:2206.12424, 2022 | 6 | 2022 |
| Parallel implementation of the Density Matrix Renormalization Group method achieving a quarter petaFLOPS performance on a single DGX-H100 GPU node A Menczer, M van Damme, A Rask, L Huntington, J Hammond, ... Journal of Chemical Theory and Computation 20 (19), 8397-8404, 2024 | 3 | 2024 |
| Massively parallel quantum chemistry: PFAS on over 1 million cloud vCPUs AE Rask, L Huntington, SY Kim, D Walker, A Wildman, R Wang, N Hazel, ... arXiv preprint arXiv:2307.10675, 2023 | 1 | 2023 |
| Development of an Automatic Code Generator and Implementation of Multireference Equation of Motion Coupled-Cluster Theory in the ORCA Program Package LM Huntington University of Waterloo, 2015 | 1 | 2015 |
