Követés
Abhishek Mitra
Abhishek Mitra
Quantum Solutions Computational Chemist, PsiQuantum
E-mail megerősítve itt: uchicago.edu
Cím
Hivatkozott rá
Hivatkozott rá
Év
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
Y Alexeev, M Amsler, MA Barroca, S Bassini, T Battelle, D Camps, ...
Future Generation Computer Systems 160, 666-710, 2024
502024
Excited states of crystalline point defects with multireference density matrix embedding theory
A Mitra, HQ Pham, R Pandharkar, MR Hermes, L Gagliardi
The Journal of Physical Chemistry Letters 12 (48), 11688-11694, 2021
432021
Periodic density matrix embedding for co adsorption on the mgo (001) surface
A Mitra, MR Hermes, M Cho, V Agarawal, L Gagliardi
The Journal of Physical Chemistry Letters 13 (32), 7483-7489, 2022
272022
Local excitations of a charged nitrogen vacancy in diamond with multireference density matrix embedding theory
S Haldar, A Mitra, MR Hermes, L Gagliardi
The Journal of Physical Chemistry Letters 14 (18), 4273-4280, 2023
212023
Metal–Metal Bonding in Actinide Dimers: U2 and U2–
SM Ciborowski, A Mitra, RM Harris, G Liu, P Sharma, N Khetrapal, ...
Journal of the American Chemical Society 143 (41), 17023-17028, 2021
192021
Optical properties of neutral f centers in bulk Mgo with density matrix embedding
S Verma, A Mitra, Y Jin, S Haldar, C Vorwerk, MR Hermes, G Galli, ...
The Journal of Physical Chemistry Letters 14 (34), 7703-7710, 2023
162023
Density matrix embedding using multiconfiguration pair-density functional theory
A Mitra, MR Hermes, L Gagliardi
Journal of Chemical Theory and Computation 19 (12), 3498-3508, 2023
82023
The localized active space method with unitary selective coupled cluster
A Mitra, R D’Cunha, Q Wang, MR Hermes, Y Alexeev, SK Gray, M Otten, ...
Journal of chemical theory and computation 20 (18), 7865-7875, 2024
62024
Towards quantum-centric simulations of extended molecules: sample-based quantum diagonalization enhanced with density matrix embedding theory
A Shajan, D Kaliakin, A Mitra, JR Moreno, Z Li, M Motta, C Johnson, ...
arXiv preprint arXiv:2411.09861, 2024
32024
Accurate quantum-centric simulations of supramolecular interactions
D Kaliakin, A Shajan, JR Moreno, Z Li, A Mitra, M Motta, C Johnson, ...
arXiv preprint arXiv:2410.09209, 2024
32024
Unveiling the Role of Surface Ir-Oxo Species in O2 Evolution at IrO2 Electrocatalysts via Embedded Cluster Multireference Calculations
F Fasulo, A Mitra, AB Muñoz-García, M Pavone, L Gagliardi
The Journal of Physical Chemistry C 128 (17), 7343-7351, 2024
32024
Non-unitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation
Q Wang, R D'Cunha, A Mitra, Y Alexeev, SK Gray, M Otten, L Gagliardi
arXiv preprint arXiv:2501.13371, 2025
2025
Quanta-Bind: A quantum computing pipeline for modeling strongly correlated metal-protein interactions
TS Hardikar, K Heitritter, J Brown, R D'Cunha, A Mitra, S Weatherly, Y Liu, ...
2024 IEEE International Conference on Quantum Computing and Engineering (QCE …, 2024
2024
Multiconfiguration Pair-Density Functional Theory for Strongly Correlated Systems
L Gagliardi, D Truhlar, M Hermes, A Mitra, M Hennefarth, S Verma
Bulletin of the American Physical Society, 2024
2024
Fragmentation-Based Quantum Chemistry on Classical and Quantum Computers
A Mitra
The University of Chicago, 2024
2024
Quantum Embedding Methods to investigate oxygen vacancies in Bulk MgO
S Verma, C Vorwerk, A Mitra, S Haldar, G Galli, L Gagliardi, NA Team
APS March Meeting Abstracts 2023, A60. 010, 2023
2023
Local Excitations in Spin Defects and Surface Binding using Density Matrix Embedding Theory
M Abhishek, MR Hermes, R Pandharkar, L Gagliardi, HQ Pham
American Chemical Society SciMeetings 3 (2), 2022
2022
Metal–Metal Bonding in Actinide Dimers: U₂ and U₂–
SM Ciborowski, A Mitra, RM Harris, G Liu, P Sharma, N Khetrapal, ...
2021
Role of Surface Ir-Oxo Specie in Tuning Molecular Oxygen Evolution Electrocatalysis by Iridium Oxide: New Insights from Multireference Calculations
F Fasulo, A Mitra, AB Muñoz-García, M Pavone, L Gagliardi
Available at SSRN 4676451, 0
A rendszer jelenleg nem tudja elvégezni a műveletet. Próbálkozzon újra később.
Cikkek 1–19