Abhirup Patra
Abhirup Patra
Department of Chemistry , University of Pennsylvania
Verified email at sas.upenn.edu
Title
Cited by
Cited by
Year
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
732017
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
562017
Modeling the physisorption of graphene on metals
J Tao, H Tang, A Patra, P Bhattarai, JP Perdew
Phys. Rev. B 97 (16), 165403, 2018
112018
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
72020
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
62018
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
52019
DENSITY FUNCTIONALS.
ER Johnson
SPRINGER INTERNATIONAL PU, 2016
52016
Re-thinking CO adsorption on transition-metal surfaces: Density-driven error?
A Patra, H Peng, J Sun, JP Perdew
arXiv preprint arXiv:1807.05450, 2018
32018
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
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
12015
Investigating Electronic structure at Nano-Bio Interface to optimize Excitonic Solar cell architecture
S Das, X Yu, A Patra, X Gao, M Breese, P SOMASUNDARAN, Z Song, ...
Bulletin of the American Physical Society 65, 2020
2020
Revealing the role of van der Waals interactions in thiophene adsorption on copper surfaces
A Patra, A Ruzsinszky
arXiv:1907.10028, 2019
2019
A SCAN perspective on the puzzle of the α↔ γ phase transition of Ce
A Patra, C Shahi, P Bhattarai, J Perdew
Bulletin of the American Physical Society 63, 2018
2018
A SCAN perspective on the puzzle of the α\leftrightarrowγ phase transition of Ce
A Patra, C Shahi, P Bhattarai, J Perdew
APS 2018, L18. 005, 2018
2018
Surface Properties, Adsorption, and Phase Transitions with a Dispersion-Corrected Density Functional
A Patra
Temple University, 2018
2018
Correlation Energy of the Uniform Electron Gas Revisited
P Bhattarai, C Shahi, A Patra, J Perdew
APS 2018, L18. 007, 2018
2018
Effect of the interlayer spacing and charge of 1T-MoS2 on the electrocatalytic activity for the hydrogen evolution reaction
N Attanayake, A Thenuwara, A Patra, Y Aulin, H Chakraborty, E Borguet, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017
2017
Improved metallic surface properties using a new van der Waals density functional
A Patra, J Sun, J Bates, JP Perdew
APS 2017, P1. 002, 2017
2017
Comparative first-principles study of clean-surface properties of metals
A Patra, J Sun, JP Perdew
APS 2016, A31. 005, 2016
2016
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Articles 1–20