| Probing the Synergistic Effects of Mg2+ on CO2 Reduction Reaction on CoPc by In Situ Electrochemical Scanning Tunneling Microscopy YQ Wang, XH Dan, X Wang, ZY Yi, JJ Fu, YC Feng, JS Hu, D Wang, ... Journal of the American Chemical Society 144 (43), 20126-20133, 2022 | 38 | 2022 |
| Efficient low-temperature simulations for fermionic reservoirs with the hierarchical equations of motion method: Application to the Anderson impurity model X Dan, M Xu, JT Stockburger, J Ankerhold, Q Shi Physical Review B 107 (19), 195429, 2023 | 30 | 2023 |
| Generalized master equation for charge transport in a molecular junction: Exact memory kernels and their high order expansion X Dan, M Xu, Y Yan, Q Shi The Journal of Chemical Physics 156 (13), 2022 | 19 | 2022 |
| Simulating chemistry on bosonic quantum devices R Dutta, DGA Cabral, N Lyu, NP Vu, Y Wang, B Allen, X Dan, RG Cortiñas, ... Journal of Chemical Theory and Computation 20 (15), 6426-6441, 2024 | 16 | 2024 |
| Theoretical study of nonadiabatic hydrogen atom scattering dynamics on metal surfaces using the hierarchical equations of motion method X Dan, Q Shi The Journal of Chemical Physics 159 (4), 2023 | 10 | 2023 |
| Single-Molecule Study on the Catalytic Role of Co–O2 Binding in ORR by In Situ ECSTM YQ Wang, XH Dan, ZY Yi, X Wang, YC Feng, Y Feng, D Wang, LJ Wan The Journal of Physical Chemistry C 127 (6), 2929-2935, 2023 | 9 | 2023 |
| Simulating electronic structure on bosonic quantum computers R Dutta, NP Vu, C Xu, DGA Cabral, N Lyu, AV Soudackov, X Dan, H Li, ... Journal of Chemical Theory and Computation, 2024 | 3 | 2024 |
| qHEOM: A Quantum Algorithm for Simulating Non-Markovian Quantum Dynamics Using the Hierarchical Equations of Motion X Dan, E Geva, VS Batista arXiv preprint arXiv:2411.12049, 2024 | 1 | 2024 |
| A Computational Framework for Simulations of Dissipative Non-Adiabatic Dynamics on Hybrid Oscillator-Qubit Quantum Devices NP Vu, D Dong, X Dan, N Lyu, V Batista, Y Liu arXiv preprint arXiv:2502.17820, 2025 | | 2025 |
| Simulating Non-Markovian Quantum Dynamics on NISQ Computers Using the Hierarchical Equations of Motion X Dan, E Geva, VS Batista Journal of Chemical Theory and Computation, 2025 | | 2025 |
| Theoretical study of proton-coupled electron transfer reaction in metal-hydride complexes X Liu, X Dan, Q Shi Chinese Journal of Chemical Physics 37 (2), 199-210, 2024 | | 2024 |
| A Tutorial on Quantum Dynamics Simulations on Quantum Computers. Part II: Open Systems Y Wang, X Dan, DGA Cabral, S Shivpuje, Z Hu, N Lyu, E Geva, VS Batista, ... | | |
| A Tutorial on Quantum Dynamics Simulations on Quantum Computers. Part III: The Generalized Quantum Master Equation X Dan, P Khazaei, N Lyu, E Mulvihill, Y Wang, S Baswaraj, S Kais, ... | | |
| A Tutorial on Quantum Dynamics Simulations on Quantum Computers. Part I: Closed Systems B Allen, DGA Cabral, NP Vu, C Cianci, X Dan, VS Batista | | |
