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Abhirup Patra, PhD

Affiliations: 
Materials Science Shell 
Area:
Computational Materials Science, Physics
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"Abhirup Patra"
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Parents

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John P. Perdew grad student 2012-2018 Temple University
Rampi Ramprasad post-doc Georgia Tech (E-Tree)
Andrew M. Rappe post-doc Penn (Chemistry Tree)
Dionisios Vlachos research scientist University of Delaware (Chemistry Tree)

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Publications

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Patra A, Batra R, Chandrasekaran A, et al. (2020) A multi-fidelity information-fusion approach to machine learn and predict polymer bandgap Computational Materials Science. 172: 109286
Tao J, Tang H, Patra A, et al. (2019) Erratum: Modeling the physisorption of graphene on metals [Phys. Rev. B 97 , 165403 (2018)] Physical Review B. 99
Patra A, Peng H, Sun J, et al. (2019) Rethinking CO adsorption on transition-metal surfaces: Effect of density-driven self-interaction errors Physical Review B. 100
Bhattarai P, Patra A, Shahi C, et al. (2018) How accurate are the parametrized correlation energies of the uniform electron gas? Physical Review B. 97
Tao J, Tang H, Patra A, et al. (2018) Modeling the physisorption of graphene on metals Physical Review B. 97
Patra A, Bates JE, Sun J, et al. (2017) Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality. Proceedings of the National Academy of Sciences of the United States of America
Attanayake NH, Thenuwara AC, Patra A, et al. (2017) Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS2 for the Hydrogen Evolution Reaction Acs Energy Letters. 3: 7-13
Patra A, Xiao B, Perdew JP. (2015) Short-range cut-off of the summed-up van der waals series: rare-gas dimers. Topics in Current Chemistry. 365: 53-80
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