| 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), 154102, 2020 | 1167 | 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 |
| 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 (15), 151101, 2018 | 87 | 2018 |
| Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer I Magoulas, NP Bauman, J Shen, P Piecuch The Journal of Physical Chemistry A 122 (5), 1350-1368, 2018 | 45 | 2018 |
| Quantum computation solves a half-century-old enigma: Elusive vibrational states of magnesium dimer found SH Yuwono, I Magoulas, P Piecuch Science Advances 6 (14), eaay4058, 2020 | 23 | 2020 |
| An ab initio study of the electronic structure of BF and BF+ I Magoulas, A Kalemos, A Mavridis The Journal of chemical physics 138 (10), 104312, 2013 | 23 | 2013 |
| 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 |
| CNOT-Efficient Circuits for Arbitrary Rank Many-Body Fermionic and Qubit Excitations I Magoulas, FA Evangelista Journal of Chemical Theory and Computation 19 (3), 822-836, 2023 | 21 | 2023 |
| Application of the coupled-cluster CC(P;Q) approaches to the magnesium dimer SH Yuwono, I Magoulas, J Shen, P Piecuch Molecular Physics 117 (9-12), 1486-1506, 2019 | 18 | 2019 |
| Proton Abstraction Mediates Interactions between the Super Photobase FR0-SB and Surrounding Alcohol Solvent J Lahiri, M Moemeni, J Kline, B Borhan, I Magoulas, SH Yuwono, ... The Journal of Physical Chemistry B 123 (40), 8448-8456, 2019 | 17 | 2019 |
| Optimization of the Reax force field for the lithium–oxygen system using a high fidelity charge model KA O’Hearn, MW Swift, J Liu, I Magoulas, P Piecuch, ACT van Duin, ... The Journal of Chemical Physics 153 (8), 084107, 2020 | 15 | 2020 |
| Linear-scaling quantum circuits for computational chemistry I Magoulas, FA Evangelista Journal of Chemical Theory and Computation 19 (15), 4815-4821, 2023 | 12 | 2023 |
| An ab initio study of the electronic structure of the boron oxide neutral (BO), cationic (BO+), and anionic (BO−) species I Magoulas, A Kalemos The Journal of chemical physics 141 (12), 124308, 2014 | 12 | 2014 |
| Controlling quantum interference between virtual and dipole two-photon optical excitation pathways using phase-shaped laser pulses J Lahiri, SH Yuwono, I Magoulas, M Moemeni, B Borhan, GJ Blanchard, ... The Journal of Physical Chemistry A 125 (34), 7534-7544, 2021 | 10 | 2021 |
| Steric effects in light-induced solvent proton abstraction J Lahiri, M Moemeni, I Magoulas, SH Yuwono, J Kline, B Borhan, ... Physical Chemistry Chemical Physics 22 (35), 19613-19622, 2020 | 10 | 2020 |
| Addressing strong correlation by approximate coupled-pair methods with active-space and full treatments of three-body clusters I Magoulas, J Shen, P Piecuch Molecular Physics 120 (19-20), e2057365, 2022 | 9 | 2022 |
| Femtosecond real-time probing of reactions MMXVII: The predissociation of sodium iodide in the A 0+ state G Rasskazov, M Nairat, I Magoulas, VV Lozovoy, P Piecuch, M Dantus Chemical Physics Letters 683, 121-127, 2017 | 9 | 2017 |
| Unitary coupled cluster: Seizing the quantum moment I Magoulas, FA Evangelista The Journal of Physical Chemistry A 127 (31), 6567-6576, 2023 | 8 | 2023 |
| Isoenergetic two-photon excitation enhances solvent-to-solute excited-state proton transfer J Lahiri, M Moemeni, J Kline, I Magoulas, SH Yuwono, M Laboe, J Shen, ... The Journal of Chemical Physics 153 (22), 224301, 2020 | 8 | 2020 |
| Structural parameters of the ground states of the quasi‐stable diatomic anions CO−, BF−, and BCl− as obtained by conventional Ab Initio methods I Magoulas, A Papakondylis, A Mavridis International Journal of Quantum Chemistry 115 (12), 771-778, 2015 | 8 | 2015 |
Piotr PiecuchUniversity Distinguished Professor and MSU Research Foundation Professor, Michigan State UniversityVerified email at chemistry.msu.edu