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D-Index & Metrics

Engineering and Technology

D-Index
61
Citations
13223
World Ranking
2054
National Ranking
656

Research.com Recognitions

  • 2010 - Fellow of American Physical Society (APS) Citation For his outstanding contributions to the development of innovative computational algorithms for the accurate and most efficient calculation of the electronic structure of a broad variety of systems, relevant to solid state and liquid structure theory, to nanoscience and chemical physics
  • 2006 - ACM Gordon Bell Prize Large-scale Electronic Structure Calculations of High-Z Metals on the BlueGene/L Platform

Overview

Francois Gygi is affiliated with the University of California, Davis in the United States. Their research primarily focuses on materials science, with a significant body of work in materials chemistry. Additional areas of study include electrical and electronic engineering, atomic and molecular physics and optics, organic chemistry, and physical and theoretical chemistry.

The scientist has contributed extensively to several research topics, notably:

  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Semiconductor materials and devices
  • Advanced Chemical Physics Studies
  • Machine Learning in Materials Science
  • Silicon Carbide Semiconductor Technologies
  • Advancements in Semiconductor Devices and Circuit Design

Some of the venues where Francois Gygi has frequently published include:

  • The Cambridge Structural Database
  • arXiv (Cornell University)
  • Nature Communications
  • The Journal of Physical Chemistry Letters
  • Journal of Chemical Theory and Computation

Recent papers authored or co-authored by Francois Gygi include:

  • "Roadmap on electronic structure codes in the exascale era," 2023, Modelling and Simulation in Materials Science and Engineering
  • "Capturing the Complete Reaction Profile of a C-H Bond Activation," 2021, Journal of the American Chemical Society
  • "Dissociation of salts in water under pressure," 2020, Nature Communications
  • "Neural Network Sampling of the Free Energy Landscape for Nitrogen Dissociation on Ruthenium," 2021, The Journal of Physical Chemistry Letters
  • "All-Electron Plane-Wave Electronic Structure Calculations," 2023, Journal of Chemical Theory and Computation

Frequent collaborators in Francois Gygi's research include David Gygi, Miguel I. Gonzalez, Kay T. Xia, Yangzhong Qin, and Elizabeth J. Johnson.

Francois Gygi's work has been recognized through several awards, including:

  • Fellow of American Physical Society (APS), 2010, for contributions to computational algorithms for electronic structure calculations relevant to solid state and liquid structure theory, nanoscience, and chemical physics
  • ACM Gordon Bell Prize, 2006, for large-scale electronic structure calculations of high-Z metals on the BlueGene/L platform

Best Publications

  • Optimization Algorithm for the Generation of ONCV Pseudopotentials

    Martin Schlipf;François Gygi

  • Towards an assessment of the accuracy of density functional theory for first principles simulations of water

    Jeffrey C. Grossman;Eric Schwegler;Erik W. Draeger;François Gygi

  • Water Confined in Nanotubes and between Graphene Sheets: A First Principle Study

    Giancarlo Cicero;Jeffrey C Grossman;Eric Schwegler;Francois Gygi

  • Towards an assessment of the accuracy of density functional theory for first principles simulations of water II

    E. Schwegler;G. C. Grossman;F. Gygi;G. Galli

  • Self-consistent electronic structure of a vortex line in a type-II superconductor.

    François Gygi;Michael Schlüter

  • Selective dispersion of high purity semiconducting single-walled carbon nanotubes with regioregular poly(3-alkylthiophene)s

    Hang Woo Lee;Yeohoon Yoon;Steve Park;Joon Hak Oh;Joon Hak Oh

  • Growth of carbon nanotubes on metal nanoparticles: a microscopic mechanism from ab initio molecular dynamics simulations.

    Jean-Yves Raty;Jean-Yves Raty;François Gygi;Giulia Galli

  • Self-consistent Hartree-Fock and screened-exchange calculations in solids: Application to silicon.

    F. Gygi;A. Baldereschi;A. Baldereschi

  • The solvation of Na + in water: First-principles simulations

    Jody A. White;Eric Schwegler;Giulia Galli;François Gygi

  • Architecture of Qbox: a scalable first-principles molecular dynamics code

    F. Gygi

  • Self-healing of CdSe nanocrystals: first-principles calculations.

    Aaron Puzder;A. J. Williamson;François Gygi;Giulia Galli

  • Density functional theory for efficient ab initio molecular dynamics simulations in solution.

    Jean-Luc Fattebert;François Gygi

  • Real-space adaptive-coordinate electronic-structure calculations.

    François Gygi;Giulia Galli

  • Quasiparticle energies in semiconductors: Self-energy correction to the local-density approximation.

    F. Gygi;A. Baldereschi

  • A first principles molecular dynamics simulation of the hydrated magnesium ion

    Felice C. Lightstone;Eric Schwegler;Randolph Q. Hood;François Gygi

  • Impurity states in doped fullerenes: C59B and C59N

    Wanda Andreoni;François Gygi;Michele Parrinello

  • Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals.

    Cui Zhang;Jun Wu;Giulia Galli;François Gygi

  • Electronic-structure calculations in adaptive coordinates.

    François Gygi

  • Water under pressure

    Eric Schwegler;Giulia Galli;François Gygi

  • First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals

    Cui Zhang;Davide Donadio;François Gygi;Giulia Galli

  • Dissociation of water under pressure.

    Eric Schwegler;Giulia Galli;François Gygi;Randolph Q. Hood

  • Accuracy of Density Functional Theory for First-Principles Simulations of Water

    E Schwegler;J Grossman;E Draeger;M Allesch

Frequent Co-Authors

Giulia Galli
Giulia Galli University of Chicago
Davide Donadio
Davide Donadio University of California, Davis
Warren E. Pickett
Warren E. Pickett University of California, Davis
Juan J. de Pablo
Juan J. de Pablo New York University
Adam Gali
Adam Gali Budapest University of Technology and Economics
Nicola Marzari
Nicola Marzari École Polytechnique Fédérale de Lausanne
Wanda Andreoni
Wanda Andreoni École Polytechnique Fédérale de Lausanne
Jun Wu
Jun Wu The University of Texas Southwestern Medical Center
Bronis R. de Supinski
Bronis R. de Supinski Lawrence Livermore National Laboratory

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