Recent developments in the PySCF program package Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... The Journal of chemical physics 153 (2), 2020 | 719 | 2020 |
The significance of polarons and dynamic disorder in halide perovskites MJ Schilcher, PJ Robinson, DJ Abramovitch, LZ Tan, AM Rappe, ... ACS Energy Letters 6 (6), 2162-2173, 2021 | 108 | 2021 |
Mystery of three borides: Differential metal–boron bonding governing superhard structures PJ Robinson, G Liu, S Ciborowski, C Martinez-Martinez, JR Chamorro, ... Chemistry of Materials 29 (23), 9892-9896, 2017 | 52 | 2017 |
SmB6– Cluster Anion: Covalency Involving f Orbitals PJ Robinson, X Zhang, T McQueen, KH Bowen, AN Alexandrova The Journal of Physical Chemistry A 121 (8), 1849-1854, 2017 | 38 | 2017 |
Excitation variance matching with limited configuration interaction expansions in variational Monte Carlo PJ Robinson, SD Pineda Flores, E Neuscamman The Journal of Chemical Physics 147 (16), 2017 | 33 | 2017 |
Photoelectron spectroscopic and theoretical study of the [HPd (η2-H2)]− cluster anion X Zhang, PJ Robinson, G Ganteför, A Alexandrova, KH Bowen The Journal of chemical physics 143 (9), 2015 | 29 | 2015 |
Assessing the bonding properties of individual molecular orbitals PJ Robinson, AN Alexandrova The Journal of Physical Chemistry A 119 (51), 12862-12867, 2015 | 23 | 2015 |
Dynamical bonding driving mixed valency in a metal boride PJ Robinson, J Munarriz, ME Valentine, A Granmoe, N Drichko, ... Angewandte Chemie 132 (27), 11089-11095, 2020 | 12 | 2020 |
Cumulant methods for electron-phonon problems. I. Perturbative expansions PJ Robinson, IS Dunn, DR Reichman Physical Review B 105 (22), 224304, 2022 | 11 | 2022 |
Cumulant methods for electron-phonon problems. II. The self-consistent cumulant expansion PJ Robinson, IS Dunn, DR Reichman Physical Review B 105 (22), 224305, 2022 | 11 | 2022 |
Understanding how bonding controls strength anisotropy in hard materials by comparing the high-pressure behavior of orthorhombic and tetragonal tungsten monoboride J Lei, MT Yeung, PJ Robinson, R Mohammadi, CL Turner, J Yan, ... The Journal of Physical Chemistry C 122 (10), 5647-5656, 2018 | 11 | 2018 |
Towards a single chemical model for understanding lanthanide hexaborides J Munarriz, PJ Robinson, AN Alexandrova Angewandte Chemie 132 (50), 22873-22878, 2020 | 3 | 2020 |
Structure and dynamics of electron-phonon coupled systems using neural quantum states A Mahajan, PJ Robinson, J Lee, DR Reichman arXiv preprint arXiv:2405.08701, 2024 | | 2024 |
Ab Initio Polaron Wave Functions PJ Robinson, J Lee, A Mahajan, DR Reichman arXiv preprint arXiv:2405.08700, 2024 | | 2024 |
Hardening in Tungsten Tetraboride with the Addition of Carbon, Zirconium, and Silicon: Intrinsic vs Extrinsic Effects G Akopov, S Hu, KD Shumilov, SG Hamilton, LE Pangilinan, ... Chemistry of Materials 36 (7), 3233-3245, 2024 | | 2024 |
Condensed-Phase Quantum Chemistry PJ Robinson, A Rettig, HQ Dinh, MF Chen, J Lee arXiv preprint arXiv:2403.13207, 2024 | | 2024 |
Structure and Dynamics in Electron-Phonon Coupled Materials PJP Robinson Columbia University, 2023 | | 2023 |