Personal Websites

Xavier Gonze

Professor Xavier Gonze is a world leader in computational materials science, known in particular for the ABINIT software project and his studies of dynamical and dielectric properties of materials.

Education and career: Graduated both in Engineering (1984) and in Physics (1985), UCLouvain, Belgium. In 1990, PhD degree in Applied Sciences also from UCLouvain. In 1990-1992, visiting scientist Cornell University (NY, USA). Back to Belgium, Research Associate of the Fund for Scientific Research, and then Professor at UCLouvain (2004-present). One year stay at the Fritz-Haber Institute der Max-Planck Gesellshaft, Berlin Germany, in 1998-1999 (Humboldt research fellowship). Starting in 2019,  visiting professor at Skoltech.


  • Computational studies of dynamical, thermodynamical, dielectric, optical and electronic properties of crystals and nanostructures within density-functional theory and many-body perturbation theory.
  • Applications to high-technology materials (photovoltaïcs, LED, batteries …).
  • Software development and numerical techniques: initiator and coordinator of the ABINIT software project (> 2000 users worlwide), iterative techniques for electronic structure calculations.
  • Over 200 publications; Scopus: 21000 citations h-index=65;  Google scholar: 28000 citations h-index=74.

My research interests focus on the study of high-technology materials by computer simulations, using first-principles quantum-mechanical methodologies. In 1997, I initiated the ABINIT software project. ABINIT is used nowadays by thousands researchers worldwide, and several dozen scientists contribute to it yearly. I supervise the daily management of ABINIT, and develop associated theoretical framework, like currently the one of temperature-dependent effects. Beyond such theoretical and software developments, I also scrutinize different classes of materials: for white-LED applications, for batteries, for scintillators, for piezoelectric and multiferroic applications, and, more recently, I started to study bi-dimensional materials.

Scientific output and bibliometry (January 2021): 233 publications in international journals, including Nature, Science, Advanced Materials, Nanoletters, Physical Review Letters… ; Scopus h-index 65, with over 21000 citations; Google scholar h-index=74, with over 28000 citations; 40 grants and research contracts; 124 personal invited oral communications in scientific meetings; 54 invited seminars in universities and research labs outside the host institutions.

Please visit my google scholar page

  • Fellow of the American Physical Society, 2007
  • Wernaers Prize 2008 (International fund Wernaers for research and diffusion of knowledge)
  • Prize Dr De Leeuw-Damry-Bourlart, delivered by his majesty the king of Belgium Albert II on Nov. 23, 2010
  • Elected member of the (belgian) Royal Academy of Sciences in 2011.
  • Commandeur de l’ordre de Léopold, royal decree, 2016
Christian Tantardini
PhD Student

Lecture “Advanced Materials Modelling” at Skoltech, scheduled term 4,  teaming with other teachers in quantum-mechanical modeling of materials at Skoltech.

At UCLouvain, lecturing on quantum mechanics, functional materials, physics of nanostructures, atomistic and nanoscopic simulations, and on principles of scientific communications for PhD students. In addition, contributions to numerous doctoral schools worldwide (keywords: DFT, many-body perturbation theory, pseudopotentials, PAW, dielectric properties, optical properties, vibrational properties …). Do not hesitate to drop, and discuss.

ФИО: ГОНЗ Ксавье
Занимаемая должность (должности): Профессор
Ученая степень: PhD в прикладной физике, Левенский Католичецкий универцитет в Лувен-ла-Неве, Бельгия (1984)

Стаж работы по специальности: 35 лет