| 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), 174105, 2020 | 140 | 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), 224106, 2017 | 129 | 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), 134108, 2018 | 91 | 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), 104108, 2018 | 71 | 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 | 59 | 2019 |
| 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 | 24 | 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 | 23 | 2021 |
| 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 | 14 | 2022 |
| Binding and excitations in SixHy molecular systems using quantum Monte Carlo G Wang, A Annaberdiyev, L Mitas The Journal of Chemical Physics 153 (14), 2020 | 11 | 2020 |
| The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6 A Annaberdiyev, S Mandal, L Mitas, JT Krogel, P Ganesh npj Quantum Materials 8 (1), 50, 2023 | 5 | 2023 |
| Electronic structure of by fixed-node and fixed-phase diffusion Monte Carlo methods A Annaberdiyev, CA Melton, G Wang, L Mitas Physical Review B 106 (7), 075127, 2022 | 5 | 2022 |
| Assessing the accuracy of compound formation energies with quantum Monte Carlo EB Isaacs, H Shin, A Annaberdiyev, C Wolverton, L Mitas, A Benali, ... Physical Review B 105 (22), 224110, 2022 | 5 | 2022 |
| Weighted nodal domain averages of eigenstates for quantum Monte Carlo and beyond L Mitas, A Annaberdiyev Chemical Physics 557, 111483, 2022 | 4 | 2022 |
| Emergent Magnetism with Continuous Control in the Ultrahigh-Conductivity Layered Oxide PdCoO2 M Brahlek, AR Mazza, A Annaberdiyev, M Chilcote, G Rimal, GB Halász, ... Nano Letters 23 (16), 7279-7287, 2023 | 3 | 2023 |
| A new generation of effective core potentials: Selected lanthanides and heavy elements H Zhou, B Kincaid, G Wang, A Annaberdiyev, P Ganesh, L Mitas The Journal of Chemical Physics 160 (8), 2024 | 2 | 2024 |
| A quantum Monte Carlo study of systems with effective core potentials and node nonlinearities H Zhou, A Scemama, G Wang, A Annaberdiyev, B Kincaid, M Caffarel, ... Chemical Physics 554, 111402, 2022 | 2 | 2022 |
| Enhanced Twist-Averaging Technique for Magnetic Metals: Applications Using Quantum Monte Carlo A Annaberdiyev, P Ganesh, JT Krogel Journal of Chemical Theory and Computation 20 (7), 2786-2797, 2024 | | 2024 |
| Achieving Reliable Quantum Monte Carlo Predictions in Si Systems Using Correlation Consistent Effective Core Potentials A Annaberdiyev North Carolina State University, 2021 | | 2021 |
Lubos MitasDistinguished University Professor, North Carolina State UniversityVerified email at ncsu.edu