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Abhirup Patra
Abhirup Patra
Researcher, Computational Materials Science, Shell USA
Verified email at shell.com
Title
Cited by
Cited by
Year
Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS2 for the Hydrogen Evolution Reaction
N H. Attanayake, A C. Thenuwara, A Patra, Y V. Aulin, T Tran, ...
ACS Energy Letters, 2017
2512017
Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality
A Patra, J Bates, J Sun, JP Perdew
Proceedings of the National Academy of Sciences, 2017
2392017
A multi-fidelity information-fusion approach to machine learn and predict polymer bandgap
A Patra, R Batra, A Chandrasekaran, C Kim, TD Huan, R Ramprasad
Computational Materials Science 172, 109286, 2020
782020
Rethinking CO adsorption on transition-metal surfaces: Effect of density-driven self-interaction errors
A Patra, H Peng, J Sun, JP Perdew
Physical Review B 100 (3), 035442, 2019
752019
Accurate critical pressures for structural phase transitions of group IV, III-V, and II-VI compounds from the SCAN density functional
C Shahi, J Sun, JP Perdew
Physical Review B 97 (9), 094111, 2018
742018
Theoretical Study of Ethylene Hydroformylation on Atomically Dispersed Rh/Al2O3 Catalysts: Reaction Mechanism and Influence of the ReOx Promoter
S Lee, A Patra, P Christopher, DG Vlachos, S Caratzoulas
ACS Catalysis 11 (15), 9506-9518, 2021
462021
Propane Dehydrogenation on PtxSny (x, y ≤ 4) Clusters on Al2O3(110)
Y Liu, X Zong, A Patra, S Caratzoulas, DG Vlachos
ACS Catalysis 13 (5), 2802-2812, 2023
312023
How accurate are the parametrized correlation energies of the uniform electron gas?
P Bhattarai, A Patra, C Shahi, JP Perdew
Phys. Rev. B 97 (19), 195128, 2018
272018
Modeling the physisorption of graphene on metals
J Tao, H Tang, A Patra, P Bhattarai, JP Perdew
Phys. Rev. B 97 (16), 165403, 2018
222018
Short-Range Cut-Off of the Summed-Up van der Waals Series: Rare-Gas Dimers
A Patra, B Xiao, JP Perdew
Topics in Current Chemistry, 53-80, 2015
8*2015
Oxygen-Initiated Free-Radical Polymerization of Alkyl Acrylates at High Temperatures
S Liu, L Chua, AA Shamsabadi, P Corcoran, A Patra, MC Grady, ...
Macromolecules 54 (17), 7925-7930, 2021
42021
Surface properties, adsorption, and phase transitions with a dispersion-corrected density functional
A Patra
Temple University, 2018
42018
PNAS PLUS
A Patra, JE Bates, J Sun, JP Perdew
PNAS 114 (44), 11577-11581, 2017
22017
Optical properties of bacteriorhodopsin–gold bionano interfaces
S Das, T Citra Asmara, A Patra, Z Song, SS Bista, P Somasundaran, ...
The Journal of Physical Chemistry C 123 (43), 26516-26521, 2019
12019
Vacancy-Induced Quantum Properties in 2D Silicon Carbide: Atomistic insights from semi-local and hybrid DFT calculations
A Patra
arXiv preprint arXiv:2411.05412, 2024
2024
Towards chemical accuracy for chemi-and physisorption with an efficient density functional
M Kothakonda, R Zhang, J Ning, J Furness, A Patra, Q Zhao, J Sun
arXiv preprint arXiv:2410.11248, 2024
2024
Optically Triggered Emergent Mesostructures in Monolayer WS2
YC Leem, Z Fang, YK Lee, NY Kim, A Kakekhani, W Liu, SP Cho, C Kim, ...
ACS Nano Letters 24 (18), 5395-5672, 2024
2024
Acknowledgment to the Reviewers of Catalysts in 2022
Catalysts Editorial Office
Catalysts 13 (2), 212, 2023
2023
Acknowledgment to the Reviewers of Molecules in 2022
AKMM Islam, AM Nafchi, ANM Mamun-Or-Rashid, A Boucekkine, ...
Molecules 28, 1072, 2023
2023
Acknowledgment to Reviewers of Catalysts in 2021
Catalysts Editorial Office
Catalysts 12 (2), 169, 2022
2022
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