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Geoffroy Hautier

Rice University

68H-index
499Paper Count
4.0WCitation Count
Published Papers 158
Publication Date
Point defects in semiconductors: Friends and foes for quantum technologies
err2026-05-25
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errOAAI
errYizhi Zhu; Zi-Huai Zhang; Weiru Chen; Mashnoon Alam Sakib; Alexander Weber-Bargioni; Sinéad Griffin; Archana Raja; Alp Sipahigil; Geoffroy Hautier
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Finding the perfect imperfection: Accelerated, computationally driven discovery and design of quantum defects
err2026-04-13
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PREAI
errYihuang Xiong; Yizhi Zhu; Sinéad M. Griffin; Geoffroy Hautier
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CsXSi15P21 (X = Sn or Pb): Polar Noncentrosymmetric Si–P Frameworks Stabilized by Covalent X–P Bonding
err2026-03-31
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PREAI
errPhilip Yox; Victoria Kyveryga; Ernesto Soto; Jessica Warner; Gayatri Viswanathan; Eranga Gamage; Kui Wu; Bingbing Zhang; Victor Trinquet; Geoffroy Hautier; Gian-Marco Rignanese; Kirill Kovnir
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Alloying to tune the bandgap of the AM2Pn2 Zintl compounds
err2026-02-13
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errOAAI
errAndrew Pike; Zhenkun Yuan; Muhammad Rubaiat Hasan; Smitakshi Goswami; Krishanu Samanta; Miguel I Gonzalez; Jifeng Liu; Kirill Kovnir; Geoffroy Hautier
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CaCd2P2: A Visible-Light Absorbing Zintl Phosphide Stable Under Photoelectrochemical Water Oxidation
err2026-01-01
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PREAI
errEsparza, Guillermo L.; Yuan, Zhenkun; Hasan, Muhammad Rubaiat; Coban, Yagmur; Kassa, Gideon; Nivarty, Tejas; Kamiyama, Darya; Devalla, Vivek Shastry; Palmer, Jack R.; Chen, Dean; Vences, Kelly X.; Liu, Jifeng; Kovnir, Kirill; Hautier, Geoffroy; Fenning, David P.
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Entanglement of a nuclear spin qubit register in silicon photonics
err2025-12-09
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PREAI
errHanbin Song; Xueyue Zhang; Lukasz Komza; Niccolo Fiaschi; Yihuang Xiong; Yiyang Zhi; Scott Dhuey; Adam Schwartzberg; Thomas Schenkel; Geoffroy Hautier; Zi-Huai Zhang; Alp Sipahigil
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Diffuson-Driven Lattice Thermal Conductivity in Zintl Arsenides: Disrupting Mass-Thermal Conductivity Relation for High Thermoelectric Performance
err2025-11-07
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PREAI
errMd. Minhajul Islam; Jiongzhi Zheng; Andrew Pike; Kurt E. Star; Sabah K. Bux; Geoffroy Hautier; Susan M. Kauzlarich
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Ineffectiveness of formamidine in suppressing ultralow thermal conductivity in cubic hybrid perovskite FAPbI3
err2025-10-23
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errOAAI
errJiongzhi Zheng; Zheng Chang; Changpeng Lin; Chongjia Lin; Yanguang Zhou; Baoling Huang; Ruiqiang Guo; Geoffroy Hautier
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Local Thermal Conductivity Patterning in Rotating Lattice Crystals of Anisotropic Sb2S3
err2025-10-10
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errOAAI
errEleonora Isotta; Rosemary Wynnychenko; Binayak Mukherjee; Jack Kaman; Hrushikesh Sahasrabuddhe; Jiongzhi Zheng; Anubhav Jain; Geoffroy Hautier; Alexandra Zevalkink; Evan Musterman; Volkmar Dierolf; Himanshu Jain; G. Jeffrey Snyder; Oluwaseyi Balogun
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Correction: Atomate2: modular workflows for materials science
err2025-08-19
err0
errOAAI
errAlex M. Ganose; Hrushikesh Sahasrabuddhe; Mark Asta; Kevin Beck; Tathagata Biswas; Alexander Bonkowski; Joana Bustamante; Xin Chen; Yuan Chiang; Daryl C. Chrzan; Jacob Clary; Orion A. Cohen; Christina Ertural; Max C. Gallant; Janine George; Sophie Gerits; Rhys E. A. Goodall; Rishabh D. Guha; Geoffroy Hautier; Matthew Horton; T. J. Inizan; Aaron D. Kaplan; Ryan S. Kingsbury; Matthew C. Kuner; Bryant Li; Xavier Linn; Matthew J. McDermott; Rohith Srinivaas Mohanakrishnan; Aakash A. Naik; Jeffrey B. Neaton; Shehan M. Parmar; Kristin A. Persson; Guido Petretto; Thomas A. R. Purcell; Francesco Ricci; Benjamin Rich; Janosh Riebesell; Gian-Marco Rignanese; Andrew S. Rosen; Matthias Scheffler; Jonathan Schmidt; Jimmy-Xuan Shen; Andrei Sobolev; Ravishankar Sundararaman; Cooper Tezak; Victor Trinquet; Joel B. Varley; Derek Vigil-Fowler; Duo Wang; David Waroquiers; Mingjian Wen; Han Yang; Hui Zheng; Jiongzhi Zheng; Zhuoying Zhu; Anubhav Jain
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First-principles understanding of hole mobility and intrinsic transport mechanisms in Sn(II) oxides
err2025-07-27
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errOAAI
errRomain Claes; David O. Scanlon; Gian-Marco Rignanese; Geoffroy Hautier
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Atomate2: modular workflows for materials science
err2025-07-26
err0
errOAAI
errAlex M. Ganose; Hrushikesh Sahasrabuddhe; Mark Asta; Kevin Beck; Tathagata Biswas; Alexander Bonkowski; Joana Bustamante; Xin Chen; Yuan Chiang; Daryl C. Chrzan; Jacob Clary; Orion A. Cohen; Christina Ertural; Max C. Gallant; Janine George; Sophie Gerits; Rhys E. A. Goodall; Rishabh D. Guha; Geoffroy Hautier; Matthew Horton; T. J. Inizan; Aaron D. Kaplan; Ryan S. Kingsbury; Matthew C. Kuner; Bryant Li; Xavier Linn; Matthew J. McDermott; Rohith Srinivaas Mohanakrishnan; Aakash N. Naik; Jeffrey B. Neaton; Shehan M. Parmar; Kristin A. Persson; Guido Petretto; Thomas A. R. Purcell; Francesco Ricci; Benjamin Rich; Janosh Riebesell; Gian-Marco Rignanese; Andrew S. Rosen; Matthias Scheffler; Jonathan Schmidt; Jimmy-Xuan Shen; Andrei Sobolev; Ravishankar Sundararaman; Cooper Tezak; Victor Trinquet; Joel B. Varley; Derek Vigil-Fowler; Duo Wang; David Waroquiers; Mingjian Wen; Han Yang; Hui Zheng; Jiongzhi Zheng; Zhuoying Zhu; Anubhav Jain
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BaCu4/3Si2/3P2 and BaCu2–(x+y)ZnxSiyP2: Expanding the Semiconducting Landscape in the ThCr2Si2-Type Family
err2025-07-10
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PREAI
errArka Sarkar; Niraj K. Nepal; Yagmur Coban; Andrew Pike; Stasia Harycki; Gayatri Viswanathan; Lin-Lin Wang; Geoffroy Hautier; Kirill Kovnir
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Accelerated data-driven materials science with the Materials Project
err2025-07-03
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PREAI
errMatthew K. Horton; Patrick Huck; Ruo Xi Yang; Jason M. Munro; Shyam Dwaraknath; Alex M. Ganose; Ryan S. Kingsbury; Mingjian Wen; Jimmy X. Shen; Tyler S. Mathis; Aaron D. Kaplan; Karlo Berket; Janosh Riebesell; Janine George; Andrew S. Rosen; Evan W. C. Spotte-Smith; Matthew J. McDermott; Orion A. Cohen; Alex Dunn; Matthew C. Kuner; Gian-Marco Rignanese; Guido Petretto; David Waroquiers; Sinead M. Griffin; Jeffrey B. Neaton; Daryl C. Chrzan; Mark Asta; Geoffroy Hautier; Shreyas Cholia; Gerbrand Ceder; Shyue Ping Ong; Anubhav Jain; Kristin A. Persson
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Colossal Electromechanical Response in Antiferroelectric-based Nanoscale Multilayers
err2025-02-25
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PREAI
errAcharya, M; Alaerts, L; Banyas, E; Kang, D; Ricci, F; Pan, H; Hanrahan, B; Spanier, JE; Neaton, JB; Hautier, G; Martin, LW
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Atomistic Understanding of Hydrogen Coverage on RuO2(110) Surface under Electrochemical Conditions from Ab Initio Statistical Thermodynamics
err2025-02-14
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PREAI
errZhang, Lei; Kloppenburg, Jan; Lin, Chia-Yi; Mitrovic, Luka; Gelin, Simon; Dabo, Ismaila; Schlom, Darrell G.; Suntivich, Jin; Hautier, Geoffroy
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Optical and Plasmonic Properties of High-Electron-Density Epitaxial and Oxidative Controlled Titanium Nitride Thin Films
err2025-02-03
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errOAAI
errChris-Okoro, Ikenna; Cherono, Sheilah; Akande, Wisdom; Nalawade, Swapnil; Liu, Mengxin; Martin, Catalin; Craciun, Valentin; Kim, R. Soyoung; Mahl, Johannes; Cuk, Tanja; Yano, Junko; Crumlin, Ethan; Schall, J. David; Aravamudhan, Shyam; Mihai, Maria Diana; Zheng, Jiongzhi; Zhang, Lei; Hautier, Geoffroy; Kumar, Dhananjay
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Observation of Extraordinary Vibration Scatterings Induced by Strong Anharmonicity in Lead-Free Halide Double Perovskites
err2025-01-20
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errOAAI
errWang, G; Zheng, JZ; Xue, J; Xu, YX; Zheng, QY; Hautier, G; Lu, HP; Zhou, YG
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Optical-transition parameters of the silicon T center
err2024-12-03
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PREAI
errClear, Chloe; Hosseini, Sara; Alizadehkhaledi, Amirhossein; Brunelle, Nicholas; Woolverton, Austin; Kanaganayagam, Joshua; Kazemi, Moein; Chartrand, Camille; Keshavarz, Mehdi; Xiong, Yihuang; Alaerts, Louis; Soykal, Oney O.; Hautier, Geoffroy; Karassiouk, Valentin; Thewalt, Mike; Higginbottom, Daniel; Simmons, Stephanie
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Tracking Water Dissociation on RuO2(110) Using Atomic Force Microscopy and First-Principles Simulations
err2024-11-08
err0
PREAI
errReese, Austin J.; Gelin, Simon; Maalouf, Maria; Wadehra, Neha; Zhang, Lei; Hautier, Geoffroy; Schlom, Darrell G.; Dabo, Ismaila; Suntivich, Jin
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