| QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ... Journal of Physics: Condensed Matter 30 (19), 195901, 2018 | 314 | 2018 |
| Application-oriented performance benchmarks for quantum computing T Lubinski, S Johri, P Varosy, J Coleman, L Zhao, J Necaise, CH Baldwin, ... IEEE Transactions on Quantum Engineering 4, 1-32, 2023 | 167* | 2023 |
| QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ... The Journal of chemical physics 152 (17), 2020 | 132 | 2020 |
| An efficient variational principle for the direct optimization of excited states L Zhao, E Neuscamman Journal of chemical theory and computation 12 (8), 3436-3440, 2016 | 73 | 2016 |
| Real-time time-dependent nuclear− electronic orbital approach: dynamics beyond the Born–Oppenheimer approximation L Zhao, Z Tao, F Pavošević, A Wildman, S Hammes-Schiffer, X Li The Journal of Physical Chemistry Letters 11 (10), 4052-4058, 2020 | 66 | 2020 |
| Excited state intramolecular proton transfer with nuclear-electronic orbital Ehrenfest dynamics L Zhao, A Wildman, F Pavosevic, JC Tully, S Hammes-Schiffer, X Li The journal of physical chemistry letters 12 (14), 3497-3502, 2021 | 40 | 2021 |
| Nuclear–electronic orbital Ehrenfest dynamics L Zhao, A Wildman, Z Tao, P Schneider, S Hammes-Schiffer, X Li The Journal of Chemical Physics 153 (22), 2020 | 40 | 2020 |
| Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers L Zhao, J Goings, K Shin, W Kyoung, JI Fuks, JK Kevin Rhee, YM Rhee, ... npj Quantum Information 9 (1), 60, 2023 | 37 | 2023 |
| A blocked linear method for optimizing large parameter sets in variational Monte Carlo L Zhao, E Neuscamman Journal of chemical theory and computation 13 (6), 2604-2611, 2017 | 36 | 2017 |
| Density functional extension to excited-state mean-field theory L Zhao, E Neuscamman Journal of chemical theory and computation 16 (1), 164-178, 2019 | 31 | 2019 |
| Variational excitations in real solids: Optical gaps and insights into many-body perturbation theory L Zhao, E Neuscamman Physical review letters 123 (3), 036402, 2019 | 29 | 2019 |
| Equation of motion theory for excited states in variational Monte Carlo and the Jastrow antisymmetric geminal power in Hilbert space L Zhao, E Neuscamman Journal of Chemical Theory and Computation 12 (8), 3719-3726, 2016 | 20 | 2016 |
| Frequency and time domain nuclear–electronic orbital equation-of-motion coupled cluster methods: Combination bands and electronic–protonic double excitations F Pavosevic, Z Tao, T Culpitt, L Zhao, X Li, S Hammes-Schiffer The Journal of Physical Chemistry Letters 11 (15), 6435-6442, 2020 | 18 | 2020 |
| Excited state mean-field theory without automatic differentiation L Zhao, E Neuscamman The Journal of chemical physics 152 (20), 2020 | 18 | 2020 |
| Amplitude Determinant Coupled Cluster with Pairwise Doubles L Zhao, E Neuscamman Journal of Chemical Theory and Computation 12 (12), 5841-5850, 2016 | 16 | 2016 |
| Solvated nuclear–electronic orbital structure and dynamics A Wildman, Z Tao, L Zhao, S Hammes-Schiffer, X Li Journal of chemical theory and computation 18 (3), 1340-1346, 2022 | 10 | 2022 |
| Molecular symmetry in vqe: A dual approach for trapped-ion simulations of benzene J Goings, L Zhao, J Jakowski, T Morris, R Pooser 2023 IEEE International Conference on Quantum Computing and Engineering (QCE …, 2023 | 9 | 2023 |
| Starting-point-independent quantum Monte Carlo calculations of iron oxide JP Townsend, SD Pineda Flores, RC Clay III, TR Mattsson, ... Physical Review B 102 (15), 155151, 2020 | 8 | 2020 |
| Quantum Algorithm Exploration using Application-Oriented Performance Benchmarks T Lubinski, JJ Goings, K Mayer, S Johri, N Reddy, A Mehta, N Bhatia, ... arXiv preprint arXiv:2402.08985, 2024 | 7 | 2024 |
| Enhancing the electron pair approximation with measurements on trapped-ion quantum computers L Zhao, Q Wang, JJ Goings, K Shin, W Kyoung, S Noh, YM Rhee, K Kim npj Quantum Information 10 (1), 76, 2024 | 1 | 2024 |
Eric NeuscammanUniversity of California, BerkeleyVerified email at berkeley.edu