| Nonadiabatic Dynamics of Photoexcited cis-Stilbene Using Ab Initio Multiple Spawning H Weir, M Williams, RM Parrish, EG Hohenstein, TJ Martínez The Journal of Physical Chemistry B 124 (26), 5476-5487, 2020 | 30 | 2020 |
| ChemPix: automated recognition of hand-drawn hydrocarbon structures using deep learning H Weir, K Thompson, A Woodward, B Choi, A Braun, TJ Martínez Chemical Science 12 (31), 10622-10633, 2021 | 28 | 2021 |
| Performance of coupled-cluster singles and doubles on modern stream processing architectures BS Fales, ER Curtis, KG Johnson, D Lahana, S Seritan, Y Wang, H Weir, ... Journal of Chemical Theory and Computation 16 (7), 4021-4028, 2020 | 24 | 2020 |
| Towards electrotuneable nanoplasmonic Fabry–Perot interferometer H Weir, JB Edel, AA Kornyshev, D Sikdar Scientific Reports 8 (1), 565, 2018 | 21 | 2018 |
| Unmasking the cis-Stilbene Phantom State via Vacuum Ultraviolet Time-Resolved Photoelectron Spectroscopy and Ab Initio Multiple Spawning M Williams, R Forbes, H Weir, K Veyrinas, RJ MacDonell, ... The Journal of Physical Chemistry Letters 12 (27), 6363-6369, 2021 | 18 | 2021 |
| Voice-controlled quantum chemistry U Raucci, A Valentini, E Pieri, H Weir, S Seritan, TJ Martínez Nature Computational Science 1 (1), 42-45, 2021 | 14 | 2021 |
| Bringing chemical structures to life with augmented reality, machine learning, and quantum chemistry S Sakshuwong, H Weir, U Raucci, TJ Martínez The Journal of Chemical Physics 156 (20), 2022 | 11 | 2022 |
| Chiral photochemistry of achiral molecules U Raucci, H Weir, C Bannwarth, DM Sanchez, TJ Martínez Nature Communications 13 (1), 2091, 2022 | 11 | 2022 |
| Strong, Nonresonant Radiation Enhances Cis–Trans Photoisomerization of Stilbene in Solution JL van den Berg, KI Neumann, JA Harrison, H Weir, EG Hohenstein, ... The Journal of Physical Chemistry A 124 (29), 5999-6008, 2020 | 8 | 2020 |
| Investigation of External Quantum Efficiency Roll-Off in OLEDs Using the Mean-Field Steady-State Kinetic Model AR McIsaac, V Vaissier Welborn, M Einzinger, N Geva, H Weir, MA Baldo, ... The Journal of Physical Chemistry C 124 (27), 14424-14431, 2020 | 6 | 2020 |
| Interactive quantum chemistry enabled by machine learning, graphical processing units, and cloud computing U Raucci, H Weir, S Sakshuwong, S Seritan, CB Hicks, F Vannucci, F Rea, ... Annual Review of Physical Chemistry 74, 313-336, 2023 | 4 | 2023 |
| Optical response of electro-tuneable 3D superstructures of plasmonic nanoparticles self-assembling on transparent columnar electrodes D Sikdar, H Weir, AA Kornyshev Optics Express 27 (19), 26483-26498, 2019 | 4 | 2019 |
| MolAR: bringing chemical structures to life with augmented reality and machine learning S Sakshuwong, H Weir, U Raucci, TJ Martínez | 3 | 2021 |
| ChemVox: voice-controlled quantum chemistry U Raucci, E Pieri, H Weir, S Seritan, TJ Martínez | 2 | 2020 |
| CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning CA Grambow, H Weir, CN Cunningham, T Biancalani, KV Chuang arXiv preprint arXiv:2305.08057, 2023 | 1 | 2023 |
| RINGER: Conformer Ensemble Generation of Macrocyclic Peptides with Sequence-Conditioned Internal Coordinate Diffusion CA Grambow, H Weir, NL Diamant, T Biancalani, G Scalia, KV Chuang | | 2023 |
| RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion CA Grambow, H Weir, NL Diamant, AM Tseng, T Biancalani, G Scalia, ... arXiv preprint arXiv:2305.19800, 2023 | | 2023 |
| Towards Accessible Quantum Chemistry and Automated Photochemical Design Via Machine Learning and Nonadiabatic Dynamics Simulation HV Weir Stanford University, 2022 | | 2022 |
| Chiral Photochemistry of Achiral Molecules: The Emblematic Case of Stilbene and Stiff-Stilbene U Raucci, H Weir, C Bannwarth, D Sanchez, T Martinez | | 2021 |
| The Photochemistry of cis-Stilbene Studied by Ultrafast Electron Diffraction SK Saha, P Nunes, H Weir, B Moore, M Willams, A Attar, D Luo, MF Lin, ... Bulletin of the American Physical Society 66, 2021 | | 2021 |
