| Enabling complete multichannel nonadiabatic dynamics: A global representation of the two-channel coupled, 1, 21A and 13A states of NH3 using neural networks Y Wang, Y Guan, H Guo, DR Yarkony The Journal of Chemical Physics 154 (9), 2021 | 22 | 2021 |
| A Quasi-Diabatic Representation of the 1,21A States of Methylamine Y Wang, C Xie, H Guo, DR Yarkony The Journal of Physical Chemistry A 123 (25), 5231-5241, 2019 | 22 | 2019 |
| Diabatic and Adiabatic Representations: Electronic Structure Caveats DR Yarkony, C Xie, X Zhu, Y Wang, CL Malbon, H Guo Computational and Theoretical Chemistry, 2019 | 22 | 2019 |
| Electronic excited states from a variance-based contracted quantum eigensolver Y Wang, DA Mazziotti Physical Review A 108 (2), 022814, 2023 | 11 | 2023 |
| Conical intersection seams in spin–orbit coupled systems with an even number of electrons: A numerical study based on neural network fit surfaces Y Wang, DR Yarkony The Journal of Chemical Physics 155 (17), 2021 | 11 | 2021 |
| On the impact of singularities in the two-state adiabatic to diabatic state transformation: A global treatment Y Wang, Y Guan, DR Yarkony The Journal of Physical Chemistry A 123 (45), 9874-9880, 2019 | 10 | 2019 |
| Determining whether diabolical singularities limit the accuracy of molecular property based diabatic representations: The 1, 21A states of methylamine Y Wang, DR Yarkony The Journal of chemical physics 149 (15), 2018 | 10 | 2018 |
| Quantum simulation of bosons with the contracted quantum eigensolver Y Wang, LAM Sager-Smith, DA Mazziotti New Journal of Physics 25 (10), 103005, 2023 | 9 | 2023 |
| Impact of diabolical singular points on nonadiabatic dynamics and a remedy: photodissociation of ammonia in the first band S Han, Y Wang, Y Guan, DR Yarkony, H Guo Journal of Chemical Theory and Computation 16 (11), 6776-6784, 2020 | 7 | 2020 |
| Internal conversion and intersystem crossing dynamics based on coupled potential energy surfaces with full geometry-dependent spin–orbit and derivative couplings. Nonadiabatic … Y Wang, H Guo, DR Yarkony Physical Chemistry Chemical Physics 24 (24), 15060-15067, 2022 | 4 | 2022 |
| Quantum simulation of excited states from parallel contracted quantum eigensolvers CL Benavides-Riveros, Y Wang, S Warren, DA Mazziotti New Journal of Physics 26 (3), 033020, 2024 | 3 | 2024 |
| Exact Ansatz of Fermion-Boson Systems for a Quantum Device S Warren, Y Wang, CL Benavides-Riveros, DA Mazziotti Physical Review Letters 133 (8), 080202, 2024 | 2 | 2024 |
| Dissociation Time, Quantum Yield, and Dynamic Reaction Pathways in the Thermolysis of trans-3,4-Dimethyl-1,2-dioxetane JG Zhou, Y Shu, Y Wang, J Leszczynski, O Prezhdo The Journal of Physical Chemistry Letters 15 (7), 1846-1855, 2024 | 2 | 2024 |
| Quantum simulation of conical intersections Y Wang, DA Mazziotti Physical Chemistry Chemical Physics 26 (15), 11491-11497, 2024 | 1 | 2024 |
| Shadow Ansatz for the Many-Fermion Wave Function in Scalable Molecular Simulations on Quantum Computing Devices Y Wang, I Avdic, DA Mazziotti arXiv preprint arXiv:2408.11026, 2024 | | 2024 |
| Dipole and spin-orbit coupling surfaces in nonadiabatic systems: diabolical singularities, neural network based construction and application in modelling intersystem crossing … Y Wang Johns Hopkins University, 2022 | | 2022 |
David R.YarkonyProfessor Johns Hopkins University在 jhu.edu 的电子邮件经过验证
