Geoffroy Hautier

Geoffroy Hautier serves as Adjunct Associate Professor of Engineering at Dartmouth College's Thayer School of Engineering within the Physics and Astronomy Department. His research bridges computational materials science with practical energy applications through high-throughput methodologies and machine learning integration. Previously holding positions at MIT and ULB, he maintains active collaborations across international research networks including the psi-k society.

His research expertise spans computational materials design with emphasis on ab initio and high-throughput computing approaches. Key focus areas include opto-electronic properties of materials, transparent conducting oxides, thermoelectrics, photovoltaics, and high entropy alloys for energy applications. His group develops advanced computational frameworks for materials discovery, particularly targeting energy production and storage solutions through quantum mechanical simulations.

Analysis of recent publications reveals strong trends in quantum materials discovery (2022-2024), sustainable magnet development (2023), and hydrogen storage technologies (2024). His work consistently integrates machine learning with first-principles calculations to accelerate materials design cycles across photovoltaics, quantum information science, and sustainable energy systems.

Scientific recognition includes:

• Chemistry of Materials Reviewer Excellence Award (2018, 2019)
• Finalist for Rising Star in Computational Materials Science (2018)
• Marie Curie Fellowship (2012)

As group leader, Hautier mentors multiple PhD students and postdoctoral researchers while directing projects funded by DOE and other agencies. His research portfolio includes significant grants for quantum materials ($2.7M DOE grant), sustainable magnets, and hydrogen storage frameworks. The Hautier Research Group maintains active collaborations with national laboratories and industry partners through the Materials Project initiative.

The group operates within Dartmouth's advanced computational infrastructure, focusing on quantum defect engineering for silicon photonics, 2D material design for electrocatalysis, and rare-earth-free permanent magnet development. Current efforts emphasize scalable quantum technologies and decarbonization pathways through advanced materials discovery.