| Recent developments in the general atomic and molecular electronic structure system GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ... The Journal of chemical physics 152 (15), 2020 | 1165 | 2020 |
| The ground state electronic energy of benzene JJ Eriksen, TA Anderson, JE Deustua, K Ghanem, D Hait, MR Hoffmann, ... The journal of physical chemistry letters 11 (20), 8922-8929, 2020 | 152 | 2020 |
| Converging high-level coupled-cluster energetics by Monte Carlo sampling and moment expansions JE Deustua, J Shen, P Piecuch Physical review letters 119 (22), 223003, 2017 | 106 | 2017 |
| Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions JE Deustua, I Magoulas, J Shen, P Piecuch The Journal of Chemical Physics 149, 151101, 2018 | 87 | 2018 |
| Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations JE Deustua, SH Yuwono, J Shen, P Piecuch The Journal of chemical physics 150 (11), 2019 | 38 | 2019 |
| Fast Near Ab Initio Potential Energy Surfaces Using Machine Learning F Lu, L Cheng, RJ DiRisio, JM Finney, MA Boyer, P Moonkaen, J Sun, ... The Journal of Physical Chemistry A 126 (25), 4013-4024, 2022 | 26 | 2022 |
| M. W loch, P. Xu, F. Zahariev, and MS Gordon GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ... J. Chem. Phys 152, 154102, 2020 | 23 | 2020 |
| Is externally corrected coupled cluster always better than the underlying truncated configuration interaction? I Magoulas, K Gururangan, P Piecuch, JE Deustua, J Shen Journal of Chemical Theory and Computation 17 (7), 4006-4027, 2021 | 22 | 2021 |
| High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction K Gururangan, JE Deustua, J Shen, P Piecuch The Journal of Chemical Physics 155 (17), 2021 | 19 | 2021 |
| Accelerating convergence of equation-of-motion coupled-cluster computations using the semi-stochastic CC(P;Q) formalism SH Yuwono, A Chakraborty, J Emiliano Deustua, J Shen, P Piecuch Molecular Physics 118 (19-20), e1817592, 2020 | 19 | 2020 |
| High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons JE Deustua, J Shen, P Piecuch The Journal of Chemical Physics 154 (12), 2021 | 18 | 2021 |
| Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression L Cheng, J Sun, JE Deustua, VC Bhethanabotla, TF Miller The Journal of chemical physics 157 (15), 2022 | 13 | 2022 |
| Benchmarking the semi-stochastic CC (P; Q) approach for singlet–triplet gaps in biradicals A Chakraborty, SH Yuwono, JE Deustua, J Shen, P Piecuch The Journal of Chemical Physics 157 (13), 2022 | 7 | 2022 |
| High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions: Further Details and Comparisons J Emiliano Deustua, J Shen, P Piecuch arXiv e-prints, arXiv: 2102.10158, 2021 | | 2021 |
| Approaching Exact Quantum Chemistry by Stochastic Wave Function Sampling and Deterministic Coupled-Cluster Computations P Piecuch, JE Deustua, J Shen, I Magoulas, SH Yuwono, A Chakraborty Workshop on New Methods for Strongly Correlated Electrons, Qingdao, China, 2019 | | 2019 |
| Toward Exact Quantum Chemistry by a Combination of Stochastic Wave Function Sampling and Deterministic Coupled-Cluster Computations P Piecuch, JE Deustua, J Shen, I Magoulas, SH Yuwono, A Chakraborty Tenth Congress of the International Society for Theoretical Chemical Physics …, 2019 | | 2019 |
| Accurate Electronic Energies by Stochastic Wave Function Sampling and Deterministic Coupled-Cluster and Equation-of-Motion Coupled-Cluster Computations JE Deustua, I Magoulas, SH Yuwono, J Shen, P Piecucha Tenth Congress of the International Society for Theoretical Chemical Physics …, 2019 | | 2019 |
| SUPPORTING INFORMATION: Fast Near Ab Initio Potential Energy Surfaces using Machine Learning F Lu, L Cheng, RJ DiRisio, JM Finney, MA Boyer, P Moonkaen, J Sun, ... | | |
| Recent Advances in Externally Corrected Coupled-Cluster Methods P Piecuch, I Magoulas, K Gururangan, JE Deustua, J Shen | | |
| Supporting Information: The Ground State Electronic Energy of Benzene JJ Eriksen, TA Anderson, JE Deustua, K Ghanem, D Hait, MR Hoffmann, ... | | |
Jun ShenMichigan State Universitychemistry.msu.edu의 이메일 확인됨