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Research Interests
Computational materials design; ab initio computing; high-throughput computing; machine learning; opto-electronic properties of materials; materials for energy production and storage; transparent conducting oxides; thermoelectrics; photovoltaics; high entropy alloys
Education
- MS, Engineering, Ecole Centrale Paris (France) 2004
- MS, Materials Science and Engineering, Université Libre de Bruxelles (Belgium) 2004
- PhD, Materials Science and Engineering, Massachusetts Institute of Technology 2011
Awards
- Chemistry of Materials Reviewer Excellence Award (2018 and 2019)
- Finalist of the Rising Star in Computational Materials Science (2018)
- Marie Curie Fellow (2012)
Professional Activities
- Associate editor, npj Computational Materials
- Group leader for the working group high-throughput screening and data analytics from the psi-k society
- Reviewer for numerous journals (Nature Communications, Journal of the American Chemical Society, Chemistry of Materials, Nature Materials, Joule, Physical Review Letters, Science Advances, …) and government agencies (US DOE, Germany DFG, Swiss National Science Foundation)
- Conference organizer: Materials Research Society symposium (May 2016); European-Materials Research Society symposia (May 2015, 2017 and 2019); IUPAC World Chemistry Congress symposium (July 2019); American Physical Society (2021)
Startups
Matgenix
Founder and CSO
Founder and CSO
Research Projects
- Searching for New Rare-Earth-Free High-Performance Permanent Magnets
- High-strength, high-ductility, high entropy alloys with high-efficiency native oxide solar absorbers for concentrated solar power systems
- The Materials Project
- Porous thermoelectric cells (TECs) for waste heat recovery
- ECAE processing of Tau-MnAl magnets
Selected Publications
- First-principles study of the T center in silicon, D. Dhaliah, Y. Xiong, A. Sipahigil, S.M. Griffin, G. Hautier, Phys. Rev. Mater. 6, L053201 (2022).
- High-throughput computational search for high carrier lifetime, defect-tolerant solar absorbers, D. Dahliah, G. Brunin, J. George, V.A. Ha, G. M. Rignanese, G. Hautier, Energy Environ. Sci.14, 5057–5073 (2021).
- The Limited Predictive Power of the Pauling Rules, J. George, D. Waroquiers, D. Di Stefano, G. Petretto, G.-M. Rignanese, G. Hautier, Angewandte Chemie, 59, 2–9 (2020)
- Sr3CrN3: A New Electride with a Partially Filled d-Shell Transition Metal, P. Chanhom, Kevin E. Fritz, L. A. Burton, J. Kloppenburg, Y. Filinchuk, A. Senyshyn, M. Wang, Z. Feng, N. Insin, J. Suntivich, and G. Hautier, Journal of the American Chemical Society, 141, 10595 (2019)
- Superionic diffusion through frustrated energy landscape, D. Di Stefano, A. Miglio, K. Robeyns, Y. Filinchuk, M. Lechartier, A. Senyshyn, H. Ishida, S. Spannenberger, D. Prutsch, S. Lunghammer, D. Rettenwander, M. Wilkening, B. Roling, Y. Kato, G. Hautier, Chem, 5, 2450 (2019)
- High-Throughput Identification of Electrides from all Known Inorganic Materials, L. Burton, F. Ricci, G.-M. Rignanese, G. Hautier, Chemistry of Materials, 30, 7521 (2018)
- High-throughput design of non-oxides p-type transparent conducting materials: data mining, search strategy and identification of boron phosphide, J. Varley, A. Miglio, V.-A. Ha, M. Van Setten, G.-M. Rignanese, G. Hautier, Chemistry of Materials, 29, 2568 (2017)
- High-Mobility Bismuth-based Transparent p-Type Oxide from High-Throughput Material Screening, A. Bhatia, G. Hautier, T. Nilgianskul, A. Miglio, J. Sun, H. J. Kim, K. H. Kim, S. Chen, G. -M. Rignanese, X. Gonze, and J. Suntivich, Chemistry of Materials, 28, 30 (2016)
- Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries, J. Lee, A. Urban, X. Li, D. Su, G. Hautier, G. Ceder, Science, 343, 519 (2014)
- Identification and Design principles of low hole effective mass transparent conducting oxides, G. Hautier, A. Miglio, G. Ceder, G.-M. Rignanese, and X. Gonze, Nature Communications, 4, 2292 (2013)
Patents
Courses
- ENGS 24: Science of Materials
- ENGS 137: Molecular and Materials Design using Density Functional Theory
- ENGS 85.09: Introduction to Computational Materials Science and Engineering
Videos
Accelerated materials design using high-throughput first principles computations (Seminar)
News




In the News
pv magazine International
Scientists identify new ‘promising’ absorber material for thin-film solar cells
Mar 18, 2024
Scientists identify new ‘promising’ absorber material for thin-film solar cells
Mar 18, 2024