Automatic construction of the initial orbitals for efficient generalized valence bond calculations of large systems Q Wang, J Zou, E Xu, P Pulay, S Li Journal of chemical theory and computation 15 (1), 141-153, 2018 | 28 | 2018 |
Accurate prediction of the structure and vibrational spectra of ionic liquid clusters with the generalized energy-based fragmentation approach: critical role of ion-pair-based … Y Li, D Yuan, Q Wang, W Li, S Li Physical Chemistry Chemical Physics 20 (19), 13547-13557, 2018 | 21 | 2018 |
Describing strong correlation with block-correlated coupled cluster theory Q Wang, M Duan, E Xu, J Zou, S Li The Journal of Physical Chemistry Letters 11 (18), 7536-7543, 2020 | 19 | 2020 |
A unified framework of transformations based on the Jordan–Wigner transformation QS Li, HY Liu, Q Wang, YC Wu, GP Guo The Journal of Chemical Physics 157 (13), 2022 | 9 | 2022 |
Efficient Implementation of Block-Correlated Coupled Cluster Theory Based on the Generalized Valence Bond Reference for Strongly Correlated Systems J Zou, Q Wang, X Ren, Y Wang, H Zhang, S Li Journal of Chemical Theory and Computation 18 (9), 5276-5285, 2022 | 7 | 2022 |
ChemiQ: A chemistry simulator for quantum computer Q Wang, HY Liu, QS Li, J Zhao, Q Gong, Y Li, YC Wu, GP Guo arXiv preprint arXiv:2106.10162, 2021 | 7 | 2021 |
Facile Method to Prepare Micron-Sized Pd/Polystyrene Composite Particles and Investigation on Their Catalytic Properties X Cheng, J Li, Q Wang, L Gao, D Zhang, A Zhang Nanoscience and Nanotechnology Letters 5 (3), 384-391, 2013 | 3 | 2013 |
Predicting RNA Secondary Structure on Universal Quantum Computer J Jiang, Q Yan, Y Li, M Lu, Z Cui, M Dou, Q Wang, YC Wu, GP Guo arXiv preprint arXiv:2305.09561, 2023 | 1 | 2023 |
Simulation of chemical reaction dynamics based on quantum computing Q Gong, Q Man, Y Li, M Dou, Q Wang, YC Wu, GP Guo arXiv preprint arXiv:2303.08571, 2023 | 1 | 2023 |