| Nonadiabatic dynamics with quantum nuclei: Simulating charge transfer with ring polymer surface hopping S Ghosh, S Giannini, K Lively, J Blumberger Faraday Discussions 221, 501-525, 2020 | 30 | 2020 |
| Simulating Vibronic Spectra without Born–Oppenheimer Surfaces K Lively, G Albareda, SA Sato, A Kelly, A Rubio The journal of physical chemistry letters 12 (12), 3074-3081, 2021 | 10 | 2021 |
| Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics G Albareda, K Lively, SA Sato, A Kelly, A Rubio Journal of Chemical Theory and Computation 17 (12), 7321-7340, 2021 | 2 | 2021 |
| Robust Experimental Signatures of Phase Transitions in the Variational Quantum Eigensolver K Lively, T Bode, J Szangolies, JX Zhu, B Fauseweh arXiv preprint arXiv:2402.18953, 2024 | | 2024 |
| Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies K Lively, SA Sato, G Albareda, A Rubio, A Kelly Physical Review Research 6 (1), 013069, 2024 | | 2024 |
| Efficient first principles computational approaches to non-equilibrium electron-ion dynamics in solids K Lively Universität Hamburg Hamburg, 2023 | | 2023 |
| Conditional wavefunction theory: a unified treatment of molecular structure and nonadiabatic dynamics G Albareda Piquer, K Lively, S Sato, A Kelly, A Rubio arXiv preprint arXiv:2107.01094, 2021 | | 2021 |
| Vibronic Spectra from First Principles: Capturing the Franck-Condon Effect without Born-Oppenheimer Surfaces K Lively, A Kelly, S Sato, G Albareda, A Rubio Bulletin of the American Physical Society, 2021 | | 2021 |
| Nonadiabatic Electron Nuclear Dynamics in TDDFT with Variational Quantum Nuclei K Lively, G Albareda, A Kelly, S Sato, A Rubio Bulletin of the American Physical Society 65, 2020 | | 2020 |
Shunsuke A. SatoCenter for Computational Sciences, University of TsukubaVerified email at ccs.tsukuba.ac.jp
