Abhishek Mitra
Overview
Explore the profile of Abhishek Mitra including associated specialties, affiliations and a list of published articles.
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Articles
34
Citations
665
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Recent Articles
1.
Mitra A, DCunha R, Wang Q, Hermes M, Alexeev Y, Gray S, et al.
J Chem Theory Comput
. 2025 Jan;
21(2):1010-1011.
PMID: 39746867
No abstract available.
2.
Mitra A, DCunha R, Wang Q, Hermes M, Alexeev Y, Gray S, et al.
J Chem Theory Comput
. 2024 Sep;
PMID: 39256901
We introduce a hybrid quantum-classical algorithm, the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. Derived from the localized active space unitary coupled cluster (LAS-UCCSD) method,...
3.
Reddy R, Chaudhari V, Chopde A, Mitra A, Jaiswal D, Shrikhande S, et al.
Ann Hepatobiliary Pancreat Surg
. 2023 Dec;
28(1):99-103.
PMID: 38151253
Pancreatic resections, depending on the location of the tumor, usually require division of the vasculature of either the distal or proximal part of the stomach. In certain situations, such as...
4.
Verma S, Mitra A, Jin Y, Haldar S, Vorwerk C, Hermes M, et al.
J Phys Chem Lett
. 2023 Aug;
14(34):7703-7710.
PMID: 37606586
The optical spectra of neutral oxygen vacancies (F centers) in the bulk MgO lattice are investigated using density matrix embedding theory. The impurity Hamiltonian is solved with the complete active...
5.
Mitra A, Hermes M, Gagliardi L
J Chem Theory Comput
. 2023 Jun;
19(12):3498-3508.
PMID: 37278726
We present a quantum embedding method for ground and excited states of extended systems that uses multiconfiguration pair-density functional theory (MC-PDFT) with densities provided by periodic density matrix embedding theory...
6.
Haldar S, Mitra A, Hermes M, Gagliardi L
J Phys Chem Lett
. 2023 May;
14(18):4273-4280.
PMID: 37126760
We investigate the negatively charged nitrogen-vacancy center in diamond using periodic density matrix embedding theory (pDMET). To describe the strongly correlated excited states of this system, the complete active space...
7.
Mitra A, Hermes M, Cho M, Agarawal V, Gagliardi L
J Phys Chem Lett
. 2022 Aug;
13(32):7483-7489.
PMID: 35939641
The adsorption of simple gas molecules to metal oxide surfaces is a primary step in many heterogeneous catalysis applications. Quantum chemical modeling of these reactions is a challenge in terms...
8.
Chaudhari V, Mitra A, Gupta V, Ostwal V, Ramaswamy A, Engineer R, et al.
Surgery
. 2021 Dec;
171(5):1388-1395.
PMID: 34922745
Background: Neoadjuvant therapy (NAT) is increasingly being used in the management of borderline resectable pancreatic cancer (BRPC). We compared the outcomes of patients with BRPC treated either with upfront surgery...
9.
Mitra A, Pham H, Pandharkar R, Hermes M, Gagliardi L
J Phys Chem Lett
. 2021 Nov;
12(48):11688-11694.
PMID: 34843250
Accurate and affordable methods to characterize the electronic structure of solids are important for targeted materials design. Embedding-based methods provide an appealing balance in the trade-off between cost and accuracy─particularly...
10.
Ciborowski S, Mitra A, Harris R, Liu G, Sharma P, Khetrapal N, et al.
J Am Chem Soc
. 2021 Oct;
143(41):17023-17028.
PMID: 34609860
Understanding direct metal-metal bonding between actinide atoms has been an elusive goal in chemistry for years. We report for the first time the anion photoelectron spectrum of U. The threshold...