| QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ... Journal of Physics: Condensed Matter 30 (19), 195901, 2018 | 286 | 2018 |
| QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ... The Journal of chemical physics 152 (17), 2020 | 115 | 2020 |
| A new generation of effective core potentials for correlated calculations MC Bennett, CA Melton, A Annaberdiyev, G Wang, L Shulenburger, ... The Journal of chemical physics 147 (22), 2017 | 114 | 2017 |
| A new generation of effective core potentials from correlated calculations: 3d transition metal series A Annaberdiyev, G Wang, CA Melton, MC Bennett, L Shulenburger, ... The Journal of chemical physics 149 (13), 2018 | 79 | 2018 |
| A new generation of effective core potentials from correlated calculations: 2nd row elements MC Bennett, G Wang, A Annaberdiyev, CA Melton, L Shulenburger, ... The Journal of chemical physics 149 (10), 2018 | 62 | 2018 |
| A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions G Wang, A Annaberdiyev, CA Melton, MC Bennett, L Shulenburger, ... The Journal of Chemical Physics 151 (14), 2019 | 51 | 2019 |
| A combined first principles study of the structural, magnetic, and phonon properties of monolayer CrI3 D Staros, G Hu, J Tiihonen, R Nanguneri, J Krogel, MC Bennett, ... The Journal of Chemical Physics 156 (1), 2022 | 29 | 2022 |
| Quantum Monte Carlo with variable spins CA Melton, MC Bennett, L Mitas The Journal of Chemical Physics 144 (24), 2016 | 28 | 2016 |
| Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond A Benali, K Gasperich, KD Jordan, T Applencourt, Y Luo, MC Bennett, ... The Journal of Chemical Physics 153 (18), 2020 | 27 | 2020 |
| Cohesion and excitations of diamond-structure silicon by quantum Monte Carlo: Benchmarks and control of systematic biases A Annaberdiyev, G Wang, CA Melton, MC Bennett, L Mitas Physical Review B 103 (20), 205206, 2021 | 22 | 2021 |
| Accurate atomic correlation and total energies for correlation consistent effective core potentials A Annaberdiyev, CA Melton, MC Bennett, G Wang, L Mitas Journal of Chemical Theory and Computation 16 (3), 1482-1502, 2020 | 22 | 2020 |
| Origin of metal-insulator transitions in correlated perovskite metals MC Bennett, G Hu, G Wang, O Heinonen, PRC Kent, JT Krogel, P Ganesh Physical Review Research 4 (2), L022005, 2022 | 20 | 2022 |
| A new generation of effective core potentials from correlated and spin–orbit calculations: Selected heavy elements G Wang, B Kincaid, H Zhou, A Annaberdiyev, MC Bennett, JT Krogel, ... The Journal of Chemical Physics 157 (5), 2022 | 13 | 2022 |
| Projector quantum Monte Carlo with averaged vs explicit spin-orbit effects: Applications to tungsten molecular systems CA Melton, MC Bennett, L Mitas Journal of Physics and Chemistry of Solids 128, 367-373, 2019 | 7 | 2019 |
| Magnetic measures of purity for MnBiTe MC Bennett, J Ahn, A Pham, G Wang, P Ganesh, JT Krogel arXiv preprint arXiv:2204.04268, 2022 | 3 | 2022 |
| High accuracy transition metal effective cores for the many-body diffusion Monte Carlo method MC Bennett, FA Reboredo, L Mitas, JT Krogel Journal of Chemical Theory and Computation 18 (2), 828-839, 2022 | 3 | 2022 |
| High-accuracy electronic structure calculations with QMCPACK MC Bennett Nature Reviews Physics 3 (11), 725-725, 2021 | 3 | 2021 |
| A quantum Monte Carlo study of mono (benzene) TM and bis (benzene) TM systems MC Bennett, AH Kulahlioglu, L Mitas Chemical Physics Letters 667, 74-78, 2017 | 2 | 2017 |
| Locality error free effective core potentials for 3d transition metal elements developed for the diffusion Monte Carlo method T Ichibha, Y Nikaido, MC Bennett, JT Krogel, K Hongo, R Maezono, ... The Journal of Chemical Physics 159 (16), 2023 | | 2023 |
| Locality Error Free Effective Core Potentials of 3d Transition Metal Elements for the Diffusion Monte Carlo method T Ichibha, Y Nikaido, C Bennett, J Krogel, K Hongo, R Maezono, ... APS March Meeting Abstracts 2023, S61. 007, 2023 | | 2023 |
Lubos MitasDistinguished University Professor, North Carolina State UniversityVerified email at ncsu.edu
