| Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals J Liu, Y Shen, A Asthana, L Cheng The Journal of Chemical Physics 148 (3), 2018 | 58 | 2018 |
| Exact two-component equation-of-motion coupled-cluster singles and doubles method using atomic mean-field spin-orbit integrals A Asthana, J Liu, L Cheng The Journal of chemical physics 150 (7), 2019 | 41 | 2019 |
| Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications J Liu, A Asthana, L Cheng, D Mukherjee The Journal of chemical physics 148 (24), 2018 | 35 | 2018 |
| Quantum simulation of molecular electronic states with a transcorrelated Hamiltonian: Higher accuracy with fewer qubits A Kumar, A Asthana, C Masteran, EF Valeev, Y Zhang, L Cincio, S Tretiak, ... Journal of Chemical Theory and Computation 18 (9), 5312-5324, 2022 | 30* | 2022 |
| Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer A Asthana, A Kumar, V Abraham, H Grimsley, Y Zhang, L Cincio, S Tretiak, ... Chemical Science 14 (9), 2405-2418, 2023 | 27* | 2023 |
| Analytic evaluation of energy first derivatives for spin–orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an … J Liu, X Zheng, A Asthana, C Zhang, L Cheng The Journal of Chemical Physics 154 (6), 2021 | 15 | 2021 |
| Leakage Reduces Device Coherence Demands for Pulse-Level Molecular Simulations A Asthana, C Liu, OR Meitei, SE Economou, E Barnes, NJ Mayhall Physical Review Applied 19 (6), 064071, 2023 | 12* | 2023 |
| Quantum Simulation of Molecular Response Properties in the NISQ Era A Kumar, A Asthana, V Abraham, TD Crawford, NJ Mayhall, Y Zhang, ... Journal of Chemical Theory and Computation 19 (24), 9136-9150, 2023 | 8* | 2023 |
| Mapping the Electronic Structure of the Uranium(VI) Dinitride Molecule, UN2 G Liu, C Zhang, SM Ciborowski, A Asthana, L Cheng, KH Bowen The Journal of Physical Chemistry A 124 (32), 6486-6492, 2020 | 8 | 2020 |
| CFOUR, Coupled-Cluster techniques for Computational Chemistry JF Stanton, J Gauss, L Cheng, ME Harding, DA Matthews, PG Szalay with contributions from A Asthana, AA Auer, RJ Bartlett, U Benedikt, C …, 2021 | 3* | 2021 |
| Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method C Zhang, X Zheng, J Liu, A Asthana, L Cheng The Journal of Chemical Physics 159 (24), 2023 | 2 | 2023 |
| Adapt-vqe: https://github. com/asthanaa/adapt-vqe A Asthana, HR Grimsley, A Kumar, V Abraham, NJ Mayhall Github repository, 2022 | 2 | 2022 |
| Towards simulating molecular excited states on quantum computers A Asthana Bulletin of the American Physical Society, 2024 | | 2024 |
| Orbital Optimized ADAPT-VQE for molecular simulation on NISQ devices A Asthana, S Economou, E Barnes, N Mayhall APS March Meeting Abstracts 2023, K64. 011, 2023 | | 2023 |
| Accurate quantum chemistry calculations using NISQ era quantum computers A Kumar, A Asthana, V Abraham, T Crawford, N Mayhall, Y Zhang, ... APS March Meeting Abstracts 2023, F64. 006, 2023 | | 2023 |
| Gate-free VQE Exploiting Inter-qubit Parametric Interaction T Zhao, C Liu, A Asthana, X Jin, K Cicak, J Aumentado, N Mayhall, ... APS March Meeting Abstracts 2023, W64. 006, 2023 | | 2023 |
| Implementing pulse-based VQE (ctrl-VQE) algorithm on NISQ devices. C Liu, A Asthana, T Zhao, R Simmonds, N Mayhall, E Barnes, ... APS March Meeting Abstracts 2023, K64. 008, 2023 | | 2023 |
| Leakage reduces device coherence demands for molecular simulations with pulse-level VQE A Asthana, S Economou, E Barnes, N Mayhall APS March Meeting Abstracts 2022, F02. 004, 2022 | | 2022 |
| Development of Relativistic Electronic Structure Methods for Accurate Calculations of Molecules Containing Heavy Elements A Asthana Johns Hopkins University, 2021 | | 2021 |
Cheng LanJohns Hopkins UniversityVerified email at jhu.edu
