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Abhishek Mitra
Abhishek Mitra
PhD Candidate, University of Chicago
Verified email at uchicago.edu - Homepage
Title
Cited by
Cited by
Year
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
342021
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
222022
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
112021
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
92023
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
82023
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
52023
Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
Y Alexeev, M Amsler, P Baity, MA Barroca, S Bassini, T Battelle, D Camps, ...
arXiv preprint arXiv:2312.09733, 2023
32023
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, 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
arXiv: Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
Y Alexeev, B Gropp, I Sitdikov, MA Barroca, K Moon, S Economou, ...
2023
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
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