| Taming the sign problem in auxiliary-field quantum Monte Carlo using accurate wave functions A Mahajan, S Sharma Journal of Chemical Theory and Computation 17 (8), 4786-4798, 2021 | 31 | 2021 |
| Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte Carlo A Mahajan, J Lee, S Sharma The Journal of Chemical Physics 156 (17), 2022 | 26 | 2022 |
| Symmetry-projected Jastrow mean-field wave function in variational Monte Carlo A Mahajan, S Sharma The Journal of Physical Chemistry A 123 (17), 3911-3921, 2019 | 23 | 2019 |
| Efficient multireference perturbation theory without high-order reduced density matrices NS Blunt, A Mahajan, S Sharma The Journal of Chemical Physics 153 (16), 2020 | 22 | 2020 |
| Microscopic theory of multimode polariton dispersion in multilayered materials A Mandal, D Xu, A Mahajan, J Lee, M Delor, DR Reichman Nano Letters 23 (9), 4082-4089, 2023 | 20 | 2023 |
| An accelerated linear method for optimizing non-linear wavefunctions in variational Monte Carlo I Sabzevari, A Mahajan, S Sharma The Journal of chemical physics 152 (2), 2020 | 20 | 2020 |
| Multireference configuration interaction and perturbation theory without reduced density matrices A Mahajan, NS Blunt, I Sabzevari, S Sharma The Journal of Chemical Physics 151 (21), 2019 | 20 | 2019 |
| Efficient local energy evaluation for multi-Slater wave functions in orbital space quantum Monte Carlo A Mahajan, S Sharma The Journal of Chemical Physics 153 (19), 2020 | 17 | 2020 |
| ipie: A Python-Based Auxiliary-Field Quantum Monte Carlo Program with Flexibility and Efficiency on CPUs and GPUs FD Malone, A Mahajan, JS Spencer, J Lee Journal of Chemical Theory and Computation 19 (1), 109-121, 2022 | 13 | 2022 |
| Response properties in phaseless auxiliary field quantum Monte Carlo A Mahajan, JS Kurian, J Lee, DR Reichman, S Sharma The Journal of Chemical Physics 159 (18), 2023 | 5 | 2023 |
| Toward linear scaling auxiliary-field quantum monte carlo with local natural orbitals JS Kurian, HZ Ye, A Mahajan, TC Berkelbach, S Sharma Journal of Chemical Theory and Computation 20 (1), 134-142, 2023 | 4 | 2023 |
| Unbiasing Fermionic Auxiliary-Field Quantum Monte Carlo with Matrix Product State Trial Wavefunctions T Jiang, B O'Gorman, A Mahajan, J Lee arXiv preprint arXiv:2405.05440, 2024 | 3 | 2024 |
| Improved Modularity and New Features in ipie: Towards Even Larger AFQMC Calculations on CPUs and GPUs at Zero and Finite Temperatures T Jiang, MKA Baumgarten, PF Loos, A Mahajan, A Scemama, SF Ung, ... arXiv preprint arXiv:2406.16238, 2024 | 1 | 2024 |
| Benchmarking the Exponential Ansatz for the Holstein model J Yang, ZH Cui, A Mahajan, H Zhai, DR Reichman, GK Chan arXiv preprint arXiv:2405.18771, 2024 | | 2024 |
| Ab Initio Polaron Wave Functions PJ Robinson, J Lee, A Mahajan, DR Reichman arXiv preprint arXiv:2405.08700, 2024 | | 2024 |
| Structure and dynamics of electron-phonon coupled systems using neural quantum states A Mahajan, PJ Robinson, J Lee, DR Reichman arXiv preprint arXiv:2405.08701, 2024 | | 2024 |
| Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry Y Wei, S Debnath, JL Weber, A Mahajan, DR Reichman, RA Friesner The Journal of Physical Chemistry A, 2024 | | 2024 |
| Stochastic Electronic Structure Theory A Mahajan University of Colorado at Boulder, 2022 | | 2022 |
