Improved speed and scaling in orbital space variational Monte Carlo I Sabzevari, S Sharma Journal of chemical theory and computation 14 (12), 6276-6286, 2018 | 36 | 2018 |
Water influences the activity and selectivity of ceria-supported gold catalysts for oxidative dehydrogenation and esterification of ethanol GM Mullen, EJ Evans Jr, I Sabzevari, BE Long, K Alhazmi, BD Chandler, ... ACS Catalysis 7 (2), 1216-1226, 2017 | 36 | 2017 |
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 |
The interplay between ceria particle size, reducibility, and ethanol oxidation activity of ceria-supported gold catalysts GM Mullen, EJ Evans, BC Siegert, NR Miller, BK Rosselet, I Sabzevari, ... Reaction Chemistry & Engineering 3 (1), 75-85, 2018 | 19 | 2018 |
Heterogeneity in mixed cerium oxides and its influence on the behavior of gold catalysts for the selective oxidation of ethanol GM Mullen, BC Siegert, A Dolocan, NR Miller, BK Rosselet, I Sabzevari, ... The Journal of Physical Chemistry C 121 (35), 19269-19279, 2017 | 5 | 2017 |
Faster and lower scaling orbital-space Variational Monte Carlo I Sabzevari, S Sharma arXiv preprint arXiv:1807.10633, 2018 | 3 | 2018 |
Various Improvements to Quantum Monte Carlo Methods I Sabzevari University of Colorado at Boulder, 2022 | | 2022 |
Highly accurate ab-initio thermochemistry via real-space quantum Monte Carlo: Benzene I Sabzevari, S Sharma arXiv preprint arXiv:2107.09122, 2021 | | 2021 |