D
David Vanderbilt
Researcher at Rutgers University
Publications - 451
Citations - 76819
David Vanderbilt is an academic researcher from Rutgers University. The author has contributed to research in topics: Wannier function & Ferroelectricity. The author has an hindex of 104, co-authored 426 publications receiving 67024 citations. Previous affiliations of David Vanderbilt include Rowland Institute for Science & University of Geneva.
Papers
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Journal ArticleDOI
Ab initio study of ferroelectric domain walls in PbTiO 3
Bernd Meyer,David Vanderbilt +1 more
TL;DR: In this paper, the atomistic structure of the 180 and 90 domain boundaries in the ferroelectric perovskite compound was investigated using a first-principles ultrasoft-pseudopotential approach.
Journal ArticleDOI
Implementation of ultrasoft pseudopotentials in ab initio molecular dynamics.
TL;DR: Test d'un cadre pour the construction des pseudopotentiels separables ultra-mous proposes recemment par Vanderbilt dans le contexte des calculs de dynamique moleculaire «ab initio» de Car-Parrinello sur les atomes et les molecules.
Journal ArticleDOI
Wannier90 as a community code: new features and applications
Giovanni Pizzi,Valerio Vitale,Valerio Vitale,Ryotaro Arita,Stefan Blügel,Frank Freimuth,Guillaume Géranton,Marco Gibertini,Marco Gibertini,Dominik Gresch,Charles Johnson,Takashi Koretsune,Takashi Koretsune,Julen Ibañez-Azpiroz,Hyungjun Lee,Hyungjun Lee,Jae-Mo Lihm,Daniel Marchand,Antimo Marrazzo,Yuriy Mokrousov,Jamal I. Mustafa,Yoshiro Nohara,Yusuke Nomura,Lorenzo Paulatto,Samuel Poncé,Thomas Ponweiser,Junfeng Qiao,Florian Thöle,Stepan S. Tsirkin,Stepan S. Tsirkin,Małgorzata Wierzbowska,Nicola Marzari,David Vanderbilt,Ivo Souza,Ivo Souza,Arash A. Mostofi,Jonathan R. Yates +36 more
TL;DR: Wannier90 as mentioned in this paper is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states, which is interfaced to many widely used electronic-structure codes thanks to its independence from the basis sets representing these BLoch states.
Journal ArticleDOI
Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation
TL;DR: In this article, the authors presented an efficient first-principles approach for computing the anomalous Hall conductivity in ferromagnets, using spin-orbit coupling on a uniform and relatively coarse $k$-point mesh.
MonographDOI
Berry Phases in Electronic Structure Theory: Electric Polarization, Orbital Magnetization and Topological Insulators
TL;DR: In this paper, a pedagogical introduction to the important role of Berry phases and curvatures in the physics of electrons in solids is provided, including electric polarization, anomalous Hall conductivity, and the nature of the topological insulating state.