| Targeted activation in localized protein environments via deep red photoredox catalysis NES Tay, KA Ryu, JL Weber, AK Olow, DC Cabanero, DR Reichman, ... Nature chemistry 15 (1), 101-109, 2023 | 78 | 2023 |
| Molecular engineering of chromophores to enable triplet–triplet annihilation upconversion KJ Fallon, EM Churchill, SN Sanders, J Shee, JL Weber, R Meir, ... Journal of the American Chemical Society 142 (47), 19917-19925, 2020 | 69 | 2020 |
| Predicting ligand-dissociation energies of 3d coordination complexes with auxiliary-field quantum Monte Carlo B Rudshteyn, D Coskun, JL Weber, EJ Arthur, S Zhang, DR Reichman, ... Journal of Chemical Theory and Computation 16 (5), 3041-3054, 2020 | 30 | 2020 |
| Calculation of metallocene ionization potentials via auxiliary field quantum Monte Carlo: toward benchmark quantum chemistry for transition metals B Rudshteyn, JL Weber, D Coskun, PA Devlaminck, S Zhang, ... Journal of chemical theory and computation 18 (5), 2845-2862, 2022 | 28 | 2022 |
| Toward Benchmark-Quality Ab Initio Predictions for 3d Transition Metal Electrocatalysts: A Comparison of CCSD(T) and ph-AFQMC H Neugebauer, HT Vuong, JL Weber, RA Friesner, J Shee, A Hansen Journal of Chemical Theory and Computation 19 (18), 6208-6225, 2023 | 20 | 2023 |
| On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond J Shee, JL Weber, DR Reichman, RA Friesner, S Zhang The Journal of Chemical Physics 158 (14), 2023 | 18 | 2023 |
| In silico prediction of annihilators for triplet–triplet annihilation upconversion via auxiliary-field quantum Monte Carlo JL Weber, EM Churchill, S Jockusch, EJ Arthur, AB Pun, S Zhang, ... Chemical science 12 (3), 1068-1079, 2021 | 15 | 2021 |
| A localized-orbital energy evaluation for auxiliary-field quantum Monte Carlo JL Weber, H Vuong, PA Devlaminck, J Shee, J Lee, DR Reichman, ... Journal of Chemical Theory and Computation 18 (6), 3447-3459, 2022 | 13 | 2022 |
| Accurate quantum chemical reaction energies for lithium-mediated electrolyte decomposition and evaluation of density functional approximations S Debnath, VA Neufeld, LD Jacobson, B Rudshteyn, JL Weber, ... The Journal of Physical Chemistry A 127 (44), 9178-9184, 2023 | 7 | 2023 |
| Expanding the design space of constraints in auxiliary-field quantum Monte Carlo JL Weber, H Vuong, RA Friesner, DR Reichman Journal of Chemical Theory and Computation 19 (21), 7567-7576, 2023 | 6 | 2023 |
| Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry Y Wei, S Debnath, JL Weber, A Mahajan, DR Reichman, RA Friesner The Journal of Physical Chemistry A 128 (28), 5796-5807, 2024 | 5 | 2024 |
| Accurate quantum chemical calculation of ionization potentials: Validation of the DFT-loc approach via a large data set obtained from experiments and benchmark quantum chemical … G Li, B Rudshteyn, J Shee, JL Weber, D Coskun, AD Bochevarov, ... Journal of Chemical Theory and Computation 16 (4), 2109-2123, 2020 | 4 | 2020 |
| Developments in Auxiliary Field Quantum Monte Carlo for Molecules JL Weber Columbia University, 2023 | 1 | 2023 |
| Large-scale Atomistic Simulations of Lithium Diffusion in a Graphite Anode with a Machine Learning Force Field J Cheng, J Stevenson, G Agarwal, J Weber, L Jacobson, K Leswing | | 2025 |
James SheeAssistant Professor of Chemistry, Rice UniversityE-mail megerősítve itt: rice.edu
