Search Results for author: David Vanderbilt

Found 6 papers, 3 papers with code

Mirror Chern numbers in the hybrid Wannier representation

no code implementations26 Jan 2021 Tomáš Rauch, Thomas Olsen, David Vanderbilt, Ivo Souza

The topology of electronic states in band insulators with mirror symmetry can be classified in two different ways.

Mesoscale and Nanoscale Physics

Lattice dynamics and magnetic exchange interactions in GeCo2O4, a spinel with S = 1/2 pyrochlore lattice

no code implementations24 Dec 2020 Prativa Pramanik, Sobhit Singh, Mouli Roy Chowdhury, Sayandeep Ghosh, Vasant Sathe, Karin M. Rabe, David Vanderbilt, Mohindar S. Seehra, Subhash Thota

GeCo$_2$O$_4$ is a unique system in the family of cobalt spinels ACo$_2$O$_4$ (A= Sn, Ti, Ru, Mn, Al, Zn, Fe, etc.)

Materials Science Mesoscale and Nanoscale Physics

The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design

2 code implementations3 Jul 2020 Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid, Brian DeCost, Adam J. Biacchi, Angela R. Hight Walker, Zachary Trautt, Jason Hattrick-Simpers, A. Gilad Kusne, Andrea Centrone, Albert Davydov, Jie Jiang, Ruth Pachter, Gowoon Cheon, Evan Reed, Ankit Agrawal, Xiaofeng Qian, Vinit Sharma, Houlong Zhuang, Sergei V. Kalinin, Bobby G. Sumpter, Ghanshyam Pilania, Pinar Acar, Subhasish Mandal, Kristjan Haule, David Vanderbilt, Karin Rabe, Francesca Tavazza

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques.

Materials Science Computational Physics

Berry Flux Diagonalization: Application to Electric Polarization

1 code implementation7 Feb 2020 John Bonini, David Vanderbilt, Karin M. Rabe

In this work, we present a physically motivated approach for predicting the experimentally measured switching polarization that involves separating the change in phase between two states into as many gauge-invariant smaller phase changes as possible.

Materials Science Strongly Correlated Electrons

Surfaces of Axion Insulators

no code implementations8 Sep 2018 Nicodemos Varnava, David Vanderbilt

In the case of AIAO ordering, we show that it is possible to construct a topological state with no protected metallic states on boundaries of any dimension (surfaces, hinges, or corners), although chiral hinge modes do occur for many surface configurations.

Materials Science Mesoscale and Nanoscale Physics

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