Publications

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Accurate Hellmann-Feynman forces with optimized atom-centered Gaussian basis sets

Computational Materials Science and EngineeringGordon Research ConferenceComparing Theories, Algorithms and Computation Protocols in Materials Sci

Shivesh Pathak, Joshua Rackers, Ignacio Ema Lpez, Rafael Lpez Fernndez, Alex J. Lee, William P. Bricker, Susi Lehtola

Conference Poster – 2022 Conference Poster 2022

Prospects for computing plasma transport properties on quantum computers

APS Division of Plasma Physics

Andrew David Baczewski, Alina Kononov, Lucas Kocia, Antonio Russo, Shivesh Pathak, Stefan Seritan

Abstract – 2022 Abstract 2022

An accurate tight binding model for twisted bilayer graphene describes topological flat bands without geometric relaxation

APS March Meeting 2022

Shivesh Pathak, Tawfiqur Rakib, Run Hou, Andriy Nevidomskyy, Elif Ertekin, Harley T. Johnson, Lucas K. Wagner

Conference Presentation – 2022 Conference Presentation 2022

An accurate tight binding model for twisted bilayer graphene describes topological flat bands without geometric relaxation

APS March Meeting 2022

Shivesh Pathak, Tawfiqur Rakib, Run Hou, Andriy Nevidomskyy, Elif Ertekin, Harley T. Johnson, Lucas K. Wagner

Abstract – 2021 Abstract 2021
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