| Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states T Husch, J Sun, L Cheng, SJR Lee, TF Miller III The Journal of Chemical Physics 154 (6), 2021 | 49 | 2021 |
| Tensorcircuit: a quantum software framework for the nisq era SX Zhang, J Allcock, ZQ Wan, S Liu, J Sun, H Yu, XH Yang, J Qiu, Z Ye, ... Quantum 7, 912, 2023 | 48 | 2023 |
| Fast Near Ab Initio Potential Energy Surfaces Using Machine Learning F Lu, L Cheng, RJ DiRisio, JM Finney, MA Boyer, P Moonkaen, J Sun, ... The Journal of Physical Chemistry A 126 (25), 4013-4024, 2022 | 16 | 2022 |
| Accurate molecular-orbital-based machine learning energies via unsupervised clustering of chemical space L Cheng, J Sun, TF Miller III Journal of Chemical Theory and Computation 18 (8), 4826-4835, 2022 | 13 | 2022 |
| High-field transport and hot-electron noise in GaAs from first-principles calculations: Role of two-phonon scattering PS Cheng, J Sun, SN Sun, AY Choi, AJ Minnich Physical Review B 106 (24), 245201, 2022 | 8 | 2022 |
| A generalized class of strongly stable and dimension-free T-RPMD integrators JL Rosa-Raíces, J Sun, N Bou-Rabee, TF Miller III The Journal of chemical physics 154 (2), 2021 | 8 | 2021 |
| Regulation of Electronic Structure of Graphene Nanoribbon by Tuning Long-Range Dopant–Dopant Coupling at Distance of Tens of Nanometers J Sun, S Feng, X Wang, G Zhang, Y Luo, J Jiang The Journal of Physical Chemistry Letters 11 (16), 6907-6913, 2020 | 7 | 2020 |
| Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression L Cheng, J Sun, JE Deustua, VC Bhethanabotla, TF Miller III The Journal of chemical physics 157 (15), 2022 | 6 | 2022 |
| New Stable and Fast Ring-Polymer Molecular Dynamics for Calculating Bimolecular Rate Coefficients with an Example of OH + CH4 X Gui, W Fan, J Sun, Y Li Journal of Chemical Theory and Computation 18 (9), 5203-5212, 2022 | 6 | 2022 |
| Molecular energy learning using alternative blackbox matrix-matrix multiplication algorithm for exact Gaussian process J Sun, L Cheng, TF Miller III arXiv preprint arXiv:2109.09817, 2021 | 4 | 2021 |
| Transport and noise of hot electrons in GaAs using a semianalytical model of two-phonon polar optical phonon scattering J Sun, AJ Minnich Physical Review B 107 (20), 205201, 2023 | 3 | 2023 |
| Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning J Sun, L Cheng, TF Miller III The Journal of Chemical Physics 157 (10), 2022 | 3* | 2022 |
| Toward Chemical Accuracy with Shallow Quantum Circuits: A Clifford-Based Hamiltonian Engineering Approach J Sun, L Cheng, W Li Journal of Chemical Theory and Computation 20 (2), 695-707, 2024 | 2 | 2024 |
| Stabilizer ground states: theory, algorithms and applications J Sun, L Cheng, SX Zhang arXiv preprint arXiv:2403.08441, 2024 | | 2024 |
| Experimental demonstration of scalable cross-entropy benchmarking to detect measurement-induced phase transitions on a superconducting quantum processor H Kamakari, J Sun, Y Li, JJ Thio, TP Gujarati, M Fisher, M Motta, ... arXiv preprint arXiv:2403.00938, 2024 | | 2024 |
| Transport and noise of of hot electrons in GaAs using an ab-initio-based semi-analytical model of two-phonon polar optical phonon scattering J Sun, A Minnich APS March Meeting Abstracts 2023, T34. 004, 2023 | | 2023 |
Lixue ChengMicrosoft ResearchVerified email at microsoft.com
