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Geoffroy Hautier

Geoffroy Hautier

D-Index & Metrics

Materials Science

D-Index
71
Citations
43077
World Ranking
4156
National Ranking
1113

Overview

Geoffroy Hautier is affiliated with Dartmouth College in the United States. Their research activity spans several fields, focusing primarily on materials science and engineering. Within these broad domains, they have contributed extensively to subfields such as materials chemistry, electrical and electronic engineering, atomic and molecular physics and optics, mechanical engineering, and electronic, optical, and magnetic materials.

The research of Geoffroy Hautier encompasses a variety of topics related to materials science and technology. Key areas include:

  • Machine learning in materials science
  • Electronic and structural properties of oxides
  • Advanced thermoelectric materials and devices
  • Advanced battery materials and technologies
  • Chalcogenide semiconductor thin films
  • Advancements in battery materials
  • Thermal expansion and ionic conductivity

Their publication record includes numerous recent papers. Selected works include:

  • "LOBSTER: Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory," published in 2020 in the Journal of Computational Chemistry
  • "ABINIT: Overview and focus on selected capabilities," published in 2020 in The Journal of Chemical Physics
  • "Amorphization mechanism of SrIrO 3 electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization," published in 2021 in Science Advances
  • "Extending the low-temperature operation of sodium metal batteries combining linear and cyclic ether-based electrolyte solutions," published in 2022 in Nature Communications
  • "The Thermoelectric Properties of n-Type Bismuth Telluride: Bismuth Selenide Alloys Bi2Te3−xSex," published in 2020 in Research

Geoffroy Hautier collaborates with a number of frequent coauthors. Notable collaborators include Gian-Marco Rignanese, Yihuang Xiong, Janine George, Sinéad M. Griffin, and Wei Chen.

Their research has been disseminated through various venues, reflecting a strong presence in the academic community. The most frequent publication venues are:

  • arXiv (Cornell University)
  • ECS Meeting Abstracts
  • Zenodo (CERN European Organization for Nuclear Research)
  • Nature Communications
  • Physical Review B

Best Publications

  • Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

    Anubhav Jain;Shyue Ping Ong;Geoffroy Hautier;Wei-Wei Chen

  • Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

    Shyue Ping Ong;William Davidson Richards;Anubhav Jain;Geoffroy Hautier

  • Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

    Shyue Ping Ong;Vincent L. Chevrier;Geoffroy Hautier;Anubhav Jain

  • Formation enthalpies by mixing GGA and GGA + U calculations

    Anubhav Jain;Geoffroy Hautier;Shyue Ping Ong;Charles J. Moore

  • LOBSTER: Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory

    Ryky Nelson;Christina Ertural;Janine George;Volker L. Deringer

  • Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries

    Jinhyuk Lee;Alexander Urban;Xin Li;Dong Su

  • A high-throughput infrastructure for density functional theory calculations

    Anubhav Jain;Geoffroy Hautier;Charles J. Moore;Shyue Ping Ong

  • The Thermodynamic Scale of Inorganic Crystalline Metastability

    Wenhao Sun;Stephen Dacek;Shyue Ping Ong;Geoffroy Hautier

  • The thermodynamic scale of inorganic crystalline metastability

    Wenhao Sun;Wenhao Sun;Stephen T. Dacek;Shyue Ping Ong;Geoffroy Hautier

  • Thinking Like a Chemist: Intuition in Thermoelectric Materials.

    Wolfgang G. Zeier;Alex Zevalkink;Zachary M. Gibbs;Geoffroy Hautier

  • The Thermoelectric Properties of Bismuth Telluride

    Ian T. Witting;Thomas C. Chasapis;Francesco Ricci;Matthew Peters

  • Identification and design principles of low hole effective mass p -type transparent conducting oxides

    Geoffroy Hautier;Anna Miglio;Gerbrand Ceder;Gian-Marco Rignanese

  • The Abinit project: Impact, environment and recent developments

    Xavier Gonze;Bernard Amadon;Gabriel Antonius;Frédéric Arnardi

  • Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory

    Geoffroy Hautier;Christopher C. Fischer;Anubhav Jain;Tim Mueller

  • Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

    Geoffroy Hautier;Shyue Ping Ong;Anubhav Jain;Charles J. Moore

  • New frontiers for the materials genome initiative

    Juan J. de Pablo;Nicholas E. Jackson;Michael A. Webb;Long Qing Chen

  • Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations

    Geoffroy Hautier;Anubhav Jain;Shyue Ping Ong;Byoungwoo Kang

  • Engineering half-Heusler thermoelectric materials using Zintl chemistry

    Wolfgang G. Zeier;Jennifer Schmitt;Geoffroy Hautier;Umut Aydemir

  • Data Mined Ionic Substitutions for the Discovery of New Compounds

    Geoffroy Hautier;Chris Fischer;Virginie Ehrlacher;Anubhav Jain

  • First principles high throughput screening of oxynitrides for water-splitting photocatalysts

    Yabi Wu;Predrag Lazić;Geoffroy Hautier;Kristin A. Persson

  • Thermal stabilities of delithiated olivine MPO4 (M = Fe, Mn) cathodes investigated using first principles calculations

    Shyue Ping Ong;Anubhav Jain;Geoffroy Hautier;Byoungwoo Kang

  • Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing

    Timothy K. Mueller;Geoffroy Hautier;Anubhav Jain;Gerbrand Ceder

  • Voltage, Stability and Diffusion Barrier Differences between Sodium-ion and Lithium-ion intercalation Materials

    S. Ong;V. Chevrier;A. Jain;Geoffroy Hautier

Frequent Co-Authors

Gerbrand Ceder
Gerbrand Ceder University of California, Berkeley
Kristin A. Persson
Kristin A. Persson Lawrence Berkeley National Laboratory
Xavier Gonze
Xavier Gonze Université Catholique de Louvain
Shyue Ping Ong
Shyue Ping Ong University of California, San Diego
Wei Chen
Wei Chen Northwestern University
G. Jeffrey Snyder
G. Jeffrey Snyder Northwestern University
Yaroslav Filinchuk
Yaroslav Filinchuk Université Catholique de Louvain
Wei Chen
Wei Chen National University of Singapore
Darrell G. Schlom
Darrell G. Schlom Cornell University
Mary Anne White
Mary Anne White Dalhousie University

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