| Solid-state infrared-to-visible upconversion sensitized by colloidal nanocrystals M Wu, DN Congreve, MWB Wilson, J Jean, N Geva, M Welborn, ... Nature Photonics 10 (1), 31-34, 2016 | 510 | 2016 |
| Energy harvesting of non-emissive triplet excitons in tetracene by emissive PbS nanocrystals NJ Thompson, MWB Wilson, DN Congreve, PR Brown, JM Scherer, ... Nature materials 13 (11), 1039-1043, 2014 | 305 | 2014 |
| π-Clamp-mediated cysteine conjugation C Zhang, M Welborn, T Zhu, NJ Yang, MS Santos, T Van Voorhis, ... Nature Chemistry 8 (2), 120-128, 2016 | 280 | 2016 |
| OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features Z Qiao, M Welborn, A Anandkumar, FR Manby, TF Miller III The Journal of Chemical Physics 153 (12), 124111, 2020 | 262 | 2020 |
| Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis M Welborn, L Cheng, TF Miller III Journal of Chemical Theory and Computation 14 (9), 4772-4779, 2018 | 209 | 2018 |
| Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO2 Reduction A Chapovetsky, M Welborn, JM Luna, R Haiges, TF Miller III, ... ACS central science 4 (3), 397-404, 2018 | 194 | 2018 |
| A Universal Density Matrix Functional from Molecular Orbital-Based Machine Learning: Transferability across Organic Molecules L Cheng, M Welborn, TF Miller III The Journal of Chemical Physics 150, 131103, 2019 | 132 | 2019 |
| Projection-Based Wavefunction-in-DFT Embedding SJR Lee, M Welborn, FR Manby, TF Miller III Accounts of chemical research 52 (5), 1359-1368, 2019 | 118 | 2019 |
| MOLPRO, version 2019.2, a package of ab initio programs HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ... Cardiff, UK, 2019 | 108 | 2019 |
| The MolSSI QCArchive project: An open‐source platform to compute, organize, and share quantum chemistry data DGA Smith, D Altarawy, LA Burns, M Welborn, LN Naden, L Ward, S Ellis, ... Wiley Interdisciplinary Reviews: Computational Molecular Science, e1491, 2020 | 86 | 2020 |
| EON: software for long time simulations of atomic scale systems ST Chill, M Welborn, R Terrell, L Zhang, JC Berthet, A Pedersen, ... Modelling and Simulation in Materials Science and Engineering 22 (5), 055002, 2014 | 79 | 2014 |
| σ-SCF: A direct energy-targeting method to mean-field excited states HZ Ye, M Welborn, ND Ricke, T Van Voorhis The Journal of Chemical Physics 147 (21), 214104, 2017 | 78 | 2017 |
| Bootstrap embedding: An internally consistent fragment-based method M Welborn, T Tsuchimochi, T Van Voorhis The Journal of Chemical Physics 145 (7), 074102, 2016 | 76 | 2016 |
| OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy AS Christensen, SK Sirumalla, Z Qiao, MB O’Connor, DGA Smith, F Ding, ... The Journal of Chemical Physics 155 (20), 204103, 2021 | 75 | 2021 |
| # COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ... The International Journal of High Performance Computing Applications …, 2021 | 73 | 2021 |
| Regression-clustering for Improved Accuracy and Training Cost with Molecular-Orbital-Based Machine Learning L Cheng, NB Kovachki, M Welborn, TF Miller Journal of chemical theory and computation, 2019 | 66 | 2019 |
| Density matrix embedding in an antisymmetrized geminal power bath T Tsuchimochi, M Welborn, T Van Voorhis The Journal of Chemical Physics 143 (2), 024107, 2015 | 65 | 2015 |
| Informing geometric deep learning with electronic interactions to accelerate quantum chemistry Z Qiao, AS Christensen, M Welborn, FR Manby, A Anandkumar, ... Proceedings of the National Academy of Sciences 119 (31), e2205221119, 2022 | 61 | 2022 |
| Salt Effect Accelerates Site-Selective Cysteine Bioconjugation P Dai, C Zhang, M Welborn, JJ Shepherd, T Zhu, T Van Voorhis, ... ACS Central Science 2 (9), 637-646, 2016 | 45 | 2016 |
| Even-handed subsystem selection in projection-based embedding M Welborn, FR Manby, TF Miller III The Journal of Chemical Physics 149 (14), 144101, 2018 | 41 | 2018 |
Troy Van VoorhisMITVerified email at mit.edu
