| 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 | 871 | 2020 |
| Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution M Motta, C Sun, ATK Tan, MJ O’Rourke, E Ye, AJ Minnich, FGSL Brandao, ... Nature Physics 16 (2), 205-210, 2020 | 753 | 2020 |
| AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor F Ren, X Ding, M Zheng, M Korzinkin, X Cai, W Zhu, A Mantsyzov, ... Chemical science 14 (6), 1443-1452, 2023 | 178 | 2023 |
| SELFIES and the future of molecular string representations M Krenn, Q Ai, S Barthel, N Carson, A Frei, NC Frey, P Friederich, ... Patterns 3 (10), 2022 | 150 | 2022 |
| 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 | 57 | 2023 |
| Ground-state phase diagram of the three-band Hubbard model from density matrix embedding theory ZH Cui, C Sun, U Ray, BX Zheng, Q Sun, GKL Chan Physical Review Research 2 (4), 043259, 2020 | 42 | 2020 |
| Finite-temperature density matrix embedding theory C Sun, U Ray, ZH Cui, M Stoudenmire, M Ferrero, GKL Chan Physical Review B 101 (7), 075131, 2020 | 37 | 2020 |
| Monte-Carlo simulations of spin-crossover phenomena based on a vibronic Ising-like model with realistic parameters HZ Ye*, C Sun*, H Jiang Physical Chemistry Chemical Physics 17 (10), 6801-6808, 2015 | 37 | 2015 |
| Quantum imaginary time evolution, quantum lanczos, and quantum thermal averaging M Motta, C Sun, ATK Tan, MJ O’rourke, E Ye, AJ Minnich, FGSL Brandao, ... arXiv preprint arXiv:1901.07653 10, 2019 | 21 | 2019 |
| Boosting quantum amplitude exponentially in variational quantum algorithms TH Kyaw, MB Soley, B Allen, P Bergold, C Sun, VS Batista, ... Quantum Science and Technology 9 (1), 01LT01, 2023 | 11* | 2023 |
| When to reject a ground state preparation algorithm K Gratsea, C Sun, PD Johnson arXiv preprint arXiv:2212.09492, 2022 | 6 | 2022 |
| Selected Nonorthogonal Configuration Interaction with Compressed Single and Double Excitations C Sun, F Gao, GE Scuseria Journal of Chemical Theory and Computation 20 (9), 3741-3748, 2024 | 3 | 2024 |
| Waveflow: Enforcing boundary conditions in smooth normalizing flows with application to fermionic wave functions L Thiede, C Sun, A Aspuru-Guzik arXiv preprint arXiv:2211.14839, 2022 | 3 | 2022 |
| Finite Temperature Simulations of Strongly Correlated Systems C Sun California Institute of Technology, 2021 | 2 | 2021 |
| Global optimization with the iterative power algorithm via quantum computing and quantics tensor trains M Soley, TH Kyaw, P Bergold, B Allen, C Sun, A Aspuru-Guzik, V Batista APS March Meeting Abstracts 2023, G00. 306, 2023 | 1 | 2023 |
| Waveflow: Boundary-conditioned normalizing flows applied to fermionic wave functions L Thiede, C Sun, A Aspuru-Guzik APL Machine Learning 2 (4), 2024 | | 2024 |
| Evaluating the efficiency of ground-state-preparation algorithms K Gratsea, C Sun, PD Johnson Physical Review A 109 (4), 042425, 2024 | | 2024 |
| Electron localization in disordered quantum systems at finite temperatures C Sun arXiv preprint arXiv:2403.16868, 2024 | | 2024 |
| Study of many-body localization at ground state and finite temperatures with complex polarization C Sun Bulletin of the American Physical Society, 2024 | | 2024 |
| Determining Hamiltonian eigenstates on a quantum computer using quantum imaginary time evolution M Motta, C Sun, A Tan, MJ O’Rourke, E Ye, A Minnich, F Brandão, ... American Physical Society (March Meeting), 2020 | | 2020 |
Garnet Kin-Lic ChanDivision of Chemistry and Chemical Engineering, California Institute of TechnologyVerified email at caltech.edu