Principal Investigator
Geoffroy Hautier
Geoffroy Hautier is the Hodgson Family Associate Professor of Engineering at Dartmouth’s Thayer School of Engineering. Professor Hautier received Master of Science degrees from Université Libre de Bruxelles and Ecole Centrale Paris. He completed his PhD in Materials Science and Engineering at MIT in 2011. After being a faculty member at UCLouvain in Belgium, Geoffroy Hautier moved to Dartmouth in 2020. Professor Hautier has published more than 125 peer-reviewed papers cited more than 30,000 times. He is an Associate Editor for npj computational materials and co-founded a start-up active in computational materials design: Matgenix.
Postdoctoral Researchers
Yihuang Xiong
yihuang.xiong@dartmouth.edu
Yihuang’s from Nanjing, China. He earned his Ph.D. in Materials Science and Engineering from Penn State University with a research focus on the computational discovery of energy materials for water-splitting applications. He joined the Hautier group in 2021 and is working on the high-throughput search of quantum defects in semiconducting materials. He loves all kinds of food and really enjoys Boston Restaurant Week.
Zhenkun Yuan
Zhenkun joined the group as a postdoc in November 2022. He is from Hunan, China. He studied physics and earned a PhD degree in Theoretical Physics from Humboldt University of Berlin and Fritz Haber Institute of the Max Planck Society. His research interest is focused on point defects in photovoltaic materials. In his spare time, he plays basketball and tennis and do some jogging.
Jiongzhi Zheng
Jiongzhi Zheng obtained both his Bachelor’s and Master’s degrees from North China Electric Power University, and after that, he obtained his Ph.D. degree from the Hong Kong University of Science and Technology under the supervision of Prof. Baoling Huang in 2021. During his Ph.D. period, his research focused on phonon-related properties, i.e., phonon transport, temperature-dependent phonons, and thermal transport theory. Currently, He mainly focus on high-throughput phonon calculations and phonon-related photoluminescence properties.
Lei Zhang
lei.zhang@dartmouth.edu
Lei joined the Hautier Group in Sep. 2023 as a postdoc research associate. Before that, he obtained his BS, MS and PhD all in Materials Science from Shanghai Jiao Tong University, Penn State and Georgia Tech. He also did an internship at Oak Ridge National Lab and a postdoc training at CMU. Lei has a broad interest in the role of defects on the ion transport, interfacial electrochemistries and other exotic properties. He is also curious about the link between continuum-level models and atomistic-level simulations. In the Hautier Group, he aims to figure out the relationship between the defects and the interfacial electrochemical properties. Outside the Lab, Lei likes many things that could make him forget about materials science for a while. Born in a city of Hubei Province near Yangtze River, he enjoys rainy days. His favorite time is an after-rain stroll in the misty forest or near a creek. His favorite material systems are simple oxide crystals (with imperfections, of course!) in fluorite and perovskite lattices, and rutiles recently.
Tao Jiang
Tao Jiang obtained his PhD in Physics from the University of Central Florida, where his research focused on defect-laden 2D materials for catalysis, as well as spin-crossover and single-molecule magnetism for quantum information applications. Following his PhD, he conducted postdoctoral research at Ames National Laboratory at Iowa State University, specializing in electronic structure and quantum dynamics simulations of materials using both classical and quantum computing approaches. In July 2024, he joined the Hautier Group, where his research centers on high-throughput calculations to study permanent magnets. Originally from Shenyang, China, Tao enjoys movies and traveling.
Yang Huang
Yang joined the Hautier group as a Postdoctoral Research Associate in September 2024. He earned his B.S. in Materials Physics from University of Science and Technology Beijing, followed by an M.S. in Materials Science and Engineering from UC San Diego, and a Ph.D. in Chemical Engineering from Virginia Tech. His doctoral research encompassed three key areas in computational catalysis: developing reactivity descriptor methods in theoretical heterogeneous catalysis, developing a computational and data-driven framework for modeling high-entropy alloy catalysis, and developing a Bayesian experimental design workflow to discover efficient homogeneous catalysts for polymerization reactions. Yang’s current research interests lie in bridging the gap between modeling and experimentation, leveraging computational simulations and machine learning to accelerate the discovery of novel materials. His current work focuses on identifying new stable electrides through high-throughput computational screening. After work, he enjoys cooking, music and jogging with his dog Fermi.
Graduate Students
Louis Alaerts
louis.alaerts.th@dartmouth.edu
Louis joined the Hautier group as a PhD student in September 2020. Originally from Brussels, he obtained his bachelor and his master in Chemistry in 2018 and 2020, respectively, from UCLouvain, Belgium. His master thesis was focused on the study of the mechanisms leading to ferroelectricity in anti-Ruddlesden-Popper structures. He then followed Prof. Hautier to Dartmouth College where he is now working on various topics such as piezoelectricity, ferroelectricity and magnetoelectricity as well as the study of the Stark shift in defects for quantum information science applications. In his free time, Louis likes to play the guitar, soccer and cooking.
Andrew Pike
Andrew’s research focuses on the thermodynamics of alloys and random solutions for solar power and clean energy technologies and is supported by the Graduate Assistance in Areas of National Need (GAANN) Fellowship. Andrew did his undergrad at Northeastern University in chemical engineering and physics and completed coops in analytical chemistry, photovoltaics, and energy storage. Outside of the lab, Andrew is on the Dartmouth Cycling Team and enjoys gardening.
Dylan Barbagallo
dylan.j.barbagallo.th@dartmouth.edu
Dylan uses both experimental and theoretical materials science methods to develop high-performance permanent magnets without rare-earth elements. He is a native Vermonter who enjoys skiing and the outdoors. After graduating from Suffolk University with a Bachelor’s in Physics, he began his PhD work at Thayer in 2021.
Shay McBride
Shay is a PhD student from Vermont. She is working on computationally modeling the spectroscopy of electrochemical interfaces. Her interests include clean energy, materials chemistry, absurdism, and rugby.
Weiru Chen
Weiru joined the Hautier group in 2022 as a PhD student. He is working on defects in bulk and lower dimensional materials towards quantum information science applications. Before joining Dartmouth, he earned his B.S. in Physics from Bucknell University and M.S. in Applied Physics from Yale University. Outside lab, he is a professional badminton player and enjoys collecting LEGO and playing video games.
Yagmur Coban
Yagmur is a Ph.D. student at the Thayer School of Engineering, specializing in Materials Science and Engineering. She previously earned her B.Sc. degree in Materials Science and Nanotechnology Engineering from Yeditepe University. Her past experience involves conducting Molecular Dynamics simulations to analyze the thermodiffusion of ions and the transport properties of ionic liquids on an atomistic scale. Beyond her academic pursuits, she enjoys traveling and reading.
Hamza AlHasan
hamza.m.alhasan.th@dartmouth.edu
Hamza is a PhD student in Material Science & Engineering at Dartmouth. His research interests include the intersection of theoretical physics, materials science, and computational simulation methods. He obtained his BSc degree in Physics with honors from Birzeit University in Palestine. Before joining Hautier’s group, Hamza was trained as a programmer and created programs in Molecular Dynamics. He is a professional chess player and he enjoys playing table tennis in his spare time.
Undergraduate Students
Victor Sanni
victor.a.sanni.24@dartmouth.edu
Victor is a ’24 majoring in Computer Science and Engineering Sciences from Abuja, Nigeria. His research at the Hautier Lab specifically focuses on potential ferroelectric materials, which are useful because they are polarized spontaneously in the absence of any external electric field. Like ferromagnets, ferroelectrics are used in a wide range of electronic devices. In his free time, he loves analyzing soccer games, playing pool, lifting weights, and listening to EDM.
Ava Rosenbaum
ava.d.rosenbaum.26@dartmouth.edu
Ava is an undergraduate studying computer engineering, from Seattle, WA. She is currently working on analyzing defect electronic structures for quantum information science applications. In her spare time, she enjoys hiking, playing cello, and bouldering.
Melody Tsutsumi Cruz
melody.e.tsutsumi.cruz.25@dartmouth.edu
Melody is a 25 majoring in Physics and minoring in Engineering, from the Texas border region. She is interested in exploring coherence times of color impurities and solid-state defect applications in quantum information science. In her spare time, Melody enjoys spending time outdoors, being with friends, and making origami.
Alumni
- Natalya Sheremetyeva (Postdoc, departed 2022)
- Diana Dahliah (PhD student, graduated 2022)
- Céline Bourgois (Master student, graduated 2022)
- Shah Tanvir ur Rahman Chowdhury (Postdoc, departed 2023)
- Romain Claes (PhD student, graduated 2023)
- Stephan von Malottki (Postdoc, departed 2024)