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David Vanderbilt

Rutgers, The State University of New Jersey · US
Area of research
Materials Chemistry · Atomic and Molecular Physics, and Optics
Research interest
Research interests include Ferroelectric and Piezoelectric Materials, Topological Materials and Phenomena, Multiferroics and related materials, and Advanced Condensed Matter Physics.
h-index
118
citations
98,143
works
613
NIH funding
primary concept
email

Recent publications

Pressure-Driven Polar Orthorhombic to Tetragonal Phase Transition in Hafnia at Room Temperature
Chemistry of Materials 2025cited by 10position: middledoi
Structural phase purification of bulk HfO <sub>2</sub> :Y through pressure cycling
Proceedings of the National Academy of Sciences 2024cited by 16position: middledoi
High-temperature phonon-mediated superconductivity in monolayer Mg2B4C2
npj Quantum Materials 2022cited by 53position: middledoi
Weyl-mediated helical magnetism in NdAlSi
Nature Materials 2021cited by 118position: middledoi
Wannier90 as a community code: New features and applications
Zurich Open Repository and Archive (University of Zurich) 2019cited by 479position: middledoi
Berry Phases in Electronic Structure Theory
Cambridge University Press eBooks 2018cited by 689position: firstdoi
Z2Pack: Numerical implementation of hybrid Wannier centers for identifying topological materials
Physical review. B./Physical review. B 2017cited by 434position: middledoi
Reproducibility in density functional theory calculations of solids
Science 2016cited by 1,610position: middledoi
Magnetoelectric Coupling through the Spin Flop Transition in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>Ni</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi>TeO</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
Physical Review Letters 2016cited by 33position: middledoi
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
Computer Physics Communications 2014cited by 2,405position: middledoi
Pseudopotentials for high-throughput DFT calculations
Computational Materials Science 2013cited by 1,586position: lastdoi
Maximally localized Wannier functions: Theory and applications
Reviews of Modern Physics 2012cited by 3,237position: lastdoi

Grants

Theory and application of Berry phase methods in solids
NSF2421895$330,0002024–2028PIRePORTER
Theory and Application of Berry Phase Methods in Solids
NSF1954856$600,0002020–2024PIRePORTER
DMREF: Collaborative Research: Emergent Functionalities in 3d/5d Multinary Chalcogenides and Oxides
NSF1629059$1,812,7492016–2021PIRePORTER
Theory and Application of Berry Phase Methods in Solids
NSF1408838$560,0002014–2019PIRePORTER
DMREF/Collaborative Research: Enhanced functionalities in 5d transition-metal compounds from large spin-orbit coupling
NSF1233349$1,280,0002012–2017PIRePORTER
Theory and Application of Berry Phase Methods in Solids
NSF1005838$504,0002010–2014PIRePORTER
Electron Correlations and the Properties of Metals and Insulators
NSF0801343$390,0002008–2012PIRePORTER
Berry-Phase Approaches to Electronic Structure Theory and their Applications
NSF0549198$420,0002006–2010PIRePORTER
Structural and Electronic Properties of Insulating Materials
NSF0233925$315,0002002–2006PIRePORTER
Structural and Electronic Properties of Insulating Materials
NSF9981193$315,0001999–2002PIRePORTER
Bulk and Surface Structural Properties of Materials
NSF9613648$255,0001996–1999PIRePORTER
Postdoc: Research Training for CS&E Postdoctoral Associate in Electronic Structure Theory
NSF9625885$46,2001996–1998PIRePORTER
Bulk and Surface Structural Properties of Materials
NSF9115342$330,0001991–1997PIRePORTER

Frequent collaborators

Karin M. Rabe · Rutgers Sexual and Reproductive Health and Rights4 papers (2013–2025)J. L. Musfeldt · University of Florida3 papers (2016–2025)Sobhit Singh · University of Rochester3 papers (2022–2025)Sang‐Wook Cheong · Rutgers Sexual and Reproductive Health and Rights3 papers (2016–2025)Nicola Marzari · University of Lausanne2 papers (2012–2014)Jonathan R. Yates · University of Oxford2 papers (2012–2014)Arash A. Mostofi · Thomas Young Centre2 papers (2012–2014) · 2 papers (2012–2014)Zhenxian Liu · University of Illinois Chicago2 papers (2024–2025)Xianghan Xu · Princeton University2 papers (2024–2025)Amal al-Wahish · University of Tennessee at Knoxville1 papers (2016–2016)Darius H. Torchinsky · Massachusetts Institute of Technology1 papers (2021–2021)Kristjan Haule · Rutgers Sexual and Reproductive Health and Rights1 papers (2016–2016) · 1 papers (2014–2014)Jonathan Gaudet · McMaster University1 papers (2021–2021)Kevin F. Garrity · National Institute of Standards and Technology1 papers (2013–2013)J. A. Rodriguez‐Rivera · McMaster University1 papers (2021–2021)Shiyu Fan · University of Tennessee at Knoxville1 papers (2024–2024) · 1 papers (2021–2021)B. Andrei Bernevig · Ikerbasque1 papers (2017–2017)