Hautier, Geoffroy - Dartmouth College - Thayer School of Engineering

个人简介

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

研究领域

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

近期论文

查看导师最新文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

J. George, G. Petretto, A. Naik, M. Esters, A. J. Jackson, R. Nelson, R. Dronskowski, G. Rignanese, and G. Hautier, “Automated Bonding Analysis with Crystal Orbital Hamilton Populations,” ChemPlusChem, vol. -, iss. -, p. e202200123, 2022. J. He, S. H. Lee, F. Naccarato, G. Brunin, R. Zu, Y. Wang, L. Miao, H. Wang, N. Alem, G. Hautier, G. Rignanese, Z. Mao, and V. Gopalan, “SnP2S6: A Promising Infrared Nonlinear Optical Crystal with Strong Nonresonant Second Harmonic Generation and Phase-Matchability,” ACS Photonics, vol. 9, iss. 5, pp. 1724-1732, 2022. S. Posada Pérez, G. Hautier, and G. Rignanese, “Effect of Aqueous Electrolytes on LiCoO2 Surfaces: Role of Proton Adsorption on Oxygen Vacancy Formation,” The Journal of Physical Chemistry C, vol. 126, iss. 1, pp. 110-119, 2021. C. W. Andersen, R. Armiento, E. Blokhin, G. J. Conduit, S. Dwaraknath, M. Evans, A. Fekete, A. Gopakumar, S. Gražulis, A. Merkys, F. Mohamed, C. Oses, G. Pizzi, G. Rignanese, M. Scheidgen, L. Talirz, C. Toher, D. Winston, R. Aversa, K. Choudhary, P. Colinet, S. Curtarolo, D. Di Stefano, C. Draxl, S. Er, M. Esters, M. Fornari, M. Giantomassi, M. Govoni, G. Hautier, V. Hegde, M. K. Horton, P. Huck, G. Huhs, J. Hummelshøj, A. Kariryaa, B. Kozinsky, S. Kumbhar, M. Liu, N. Marzari, A. J. Morris, A. A. Mostofi, K. A. Persson, G. Petretto, T. Purcell, F. Ricci, F. Rose, M. Scheffler, D. Speckhard, M. Uhrin, A. Vaitkus, P. Villars, D. Waroquiers, C. Wolverton, M. Wu, and X. Yang, “OPTIMADE, an API for exchanging materials data,” Scientific Data, vol. 8, iss. 1, p. -, 2021. S. Posada Pérez, G. Rignanese, and G. Hautier, “Influence of Stacking on H+ Intercalation in Layered ACoO2 (A = Li, Na) Cathode Materials and Implications for Aqueous Li-Ion Batteries: A First-Principles Investigation,” Chemistry of Materials, vol. 33, iss. 17, pp. 6942-6954, 2021. D. Dahliah, G. Brunin, J. George, V. Ha, G. Rignanese, and G. Hautier, “High-throughput computational search for high carrier lifetime, defect-tolerant solar absorbers,” Energy & Environmental Science, vol. 14, iss. 9, pp. 5057-5073, 2021. R. Farris, F. Ricci, G. Casu, D. Dahliah, G. Hautier, G. Rignanese, and V. Fiorentini, “Giant thermoelectric figure of merit in multivalley high-complexity-factor LaSO,” Physical Review Materials, vol. 5, iss. 12, p. 125406, 2021. Y. Benabed, M. Rioux, S. Rousselot, G. Hautier, and M. Dollé, “Assessing the Electrochemical Stability Window of NASICON-Type Solid Electrolytes,” Frontiers in Energy Research, 2021. S. Shukla, M. Sood, D. Adeleye, S. Peedle, G. Kusch, D. Dahliah, M. Melchiorre, G. Rignanese, G. Hautier, R. Oliver, and S. Siebentritt, “Over 15% efficient wide-band-gap cu(in,ga)s2 solar cell: suppressing bulk and interface recombination through composition engineering,” Joule, 2021. G. Bokas, W. Chen, A. Hilhorst, P. Jacques, S. Gorsse, and G. Hautier, “Unveiling the thermodynamic driving forces for high entropy alloys formation through big data ab initio analysis,” Scripta materialia, vol. 202, p. 114000, 2021. P. De Breuck, G. Hautier, and G. Rignanese, “Materials property prediction for limited datasets enabled by feature selection and joint learning with modnet,” Npj computational materials, vol. 7, iss. 1, p. 83-, 2021. F. V. E. Hensling, D. Dahliah, P. Dulal, P. Singleton, J. Sun, J. Schubert, H. Paik, I. Subedi, B. Subedi, G. Rignanese, N. J. Podraza, G. Hautier, and D. G. Schlom, “Epitaxial stannate pyrochlore thin films: Limitations of cation stoichiometry and electron doping,” APL Materials, vol. 9, iss. 5, p. 51113, 2021. W. Chen, D. Dahliah, G. Rignanese, and G. Hautier, “Origin of the low conversion efficiency in Cu2ZnSnS4 kesterite solar cells: the actual role of cation disorder,” Energy & Environmental Science, vol. -, iss. -, p. -, 2021. H. R. Banjade, S. Hauri, S. Zhang, F. Ricci, W. Gong, G. Hautier, S. Vucetic, and Q. Yan, “Structure motif–centric learning framework for inorganic crystalline systems,” Science Advances, vol. 7, iss. 17, p. eabf1754, 2021. M. Markov, L. Alaerts, H. Pereira Coutada Miranda, G. Petretto, W. Chen, J. George, E. Bousquet, P. Ghosez, G. Rignanese, and G. Hautier, “Ferroelectricity and multiferroicity in anti–Ruddlesden–Popper structures,” Proceedings of the National Academy of Sciences, vol. 118, iss. 17, p. e2026020118, 2021. R. Hanus, J. George, M. Wood, A. Bonkowski, Y. Cheng, D. L. Abernathy, M. E. Manley, G. Hautier, J. G. Snyder, and R. P. Hermann, “Uncovering design principles for amorphous-like heat conduction using two-channel lattice dynamics,” Materials Today Physics, vol. 18, p. 100344, 2021. C. J. Perez, M. Wood, F. Ricci, G. Yu, T. Vo, S. K. Bux, G. Hautier, G. Rignanese, J. G. Snyder, and S. M. Kauzlarich, “Discovery of multivalley Fermi surface responsible for the high thermoelectric performance in Yb14MnSb11 and Yb14MgSb11,” Science Advances, vol. 7, iss. 4, p. eabe9439, 2021. G. Wan, J. W. Freeland, J. Kloppenburg, G. Petretto, J. N. Nelson, D. Kuo, C. Sun, J. Wen, T. J. Diulus, G. S. Herman, Y. Dong, R. Kou, J. Sun, S. Chen, K. M. Shen, D. G. Schlom, G. Rignanese, G. Hautier, D. D. Fong, Z. Feng, H. Zhou, and J. Suntivich, “Amorphization mechanism of SrIrO3 electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization,” Science Advances, vol. 7, iss. 2, p. eabc7323, 2021. J. George and G. Hautier, “Chemist versus Machine: Traditional Knowledge versus Machine Learning Techniques,” Trends in Chemistry, vol. -, iss. -, p. -, 2020. R. Le Ruyet, B. Fleutot, R. Berthelot, Y. Benabed, G. Hautier, Y. Filinchuk, and R. Janot, “Mg3(BH4)4(NH2)2 as Inorganic Solid Electrolyte with High Mg2+ Ionic Conductivity,” ACS Applied Energy Materials, vol. 3, iss. 7, pp. 6093-6097, 2020.