| 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 | 902 | 2020 |
| Thermally activated delayed fluorescence materials based on homoconjugation effect of donor–acceptor triptycenes K Kawasumi, T Wu, T Zhu, HS Chae, T Van Voorhis, MA Baldo, ... Journal of the American Chemical Society 137 (37), 11908-11911, 2015 | 384 | 2015 |
| 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 | 284 | 2016 |
| Efficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Density Matrix Embedding Theory ZH Cui, T Zhu, GKL Chan Journal of Chemical Theory and Computation, 2019 | 120 | 2019 |
| Extracting design principles for efficient thermally activated delayed fluorescence (TADF) from a simple four-state model P de Silva, CA Kim, T Zhu, T Van Voorhis Chemistry of materials 31 (17), 6995-7006, 2019 | 112 | 2019 |
| Shorter Exciton Lifetimes via an External Heavy‐Atom Effect: Alleviating the Effects of Bimolecular Processes in Organic Light‐Emitting Diodes M Einzinger, T Zhu, P de Silva, C Belger, TM Swager, T Van Voorhis, ... Advanced Materials 29 (40), 1701987, 2017 | 105 | 2017 |
| Prediction of excited-state energies and singlet–triplet gaps of charge-transfer states using a restricted open-shell Kohn–Sham approach D Hait, T Zhu, DP McMahon, T Van Voorhis Journal of chemical theory and computation 12 (7), 3353-3359, 2016 | 99 | 2016 |
| Photoenzymatic Hydrogenation of Heteroaromatic Olefins using ‘Ene’‐Reductases with Photoredox Catalysts Y Nakano, MJ Black, AJ Meichan, BA Sandoval, M Chung, ... Angewandte Chemie International Edition, 2020 | 89 | 2020 |
| Molecular design of deep blue thermally activated delayed fluorescence materials employing a homoconjugative triptycene scaffold and dihedral angle tuning W Huang, M Einzinger, T Zhu, HS Chae, S Jeon, SG Ihn, M Sim, S Kim, ... Chemistry of Materials 30 (5), 1462-1466, 2018 | 79 | 2018 |
| Ab Initio Full Cell for Correlated Materials T Zhu, GKL Chan Physical Review X 11 (2), 021006, 2021 | 76 | 2021 |
| Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory T Zhu, ZH Cui, GKL Chan Journal of Chemical Theory and Computation, 2019 | 73 | 2019 |
| Coupled-cluster impurity solvers for dynamical mean-field theory T Zhu, CA Jimenez-Hoyos, J McClain, TC Berkelbach, GKL Chan Physical Review B 100, 115154, 2019 | 66 | 2019 |
| Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond H Zhai, HR Larsson, S Lee, ZH Cui, T Zhu, C Sun, L Peng, R Peng, K Liao, ... The Journal of Chemical Physics 159 (23), 2023 | 63 | 2023 |
| All-Electron Gaussian-Based G0W0 for Valence and Core Excitation Energies of Periodic Systems T Zhu, GKL Chan Journal of Chemical Theory and Computation 17 (2), 727-741, 2021 | 56 | 2021 |
| 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 | 46 | 2016 |
| Understanding the Dipole Moment of Liquid Water from a Self-Attractive Hartree Decomposition T Zhu, T Van Voorhis The Journal of Physical Chemistry Letters 12, 6-12, 2020 | 34 | 2020 |
| Large Increase in External Quantum Efficiency by Dihedral Angle Tuning in a Sky‐Blue Thermally Activated Delayed Fluorescence Emitter W Huang, M Einzinger, A Maurano, T Zhu, J Tiepelt, C Yu, HS Chae, ... Advanced Optical Materials 7 (20), 1900476, 2019 | 26 | 2019 |
| A structural and mechanistic study of π-clamp-mediated cysteine perfluoroarylation P Dai, JK Williams, C Zhang, M Welborn, JJ Shepherd, T Zhu, ... Scientific reports 7 (1), 7954, 2017 | 23 | 2017 |
| Charge recombination in phosphorescent organic light-emitting diode host–guest systems through qm/mm simulations T Zhu, T Van Voorhis The Journal of Physical Chemistry C 120 (36), 19987-19994, 2016 | 23 | 2016 |
| Many-electron expansion: A density functional hierarchy for strongly correlated systems T Zhu, P de Silva, H van Aggelen, T Van Voorhis Physical Review B 93 (20), 201108, 2016 | 21 | 2016 |
Troy Van VoorhisMITכתובת אימייל מאומתת בדומיין mit.edu
