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John Gregoire
Dr. John Gregoire

Dr. John Gregoire

Research Professor of Applied Physics and Materials Science

Dr. John Gregoire leads the High Throughput Experimentation group at Caltech where he is also the Team Lead for Photoactive Materials in the Liquid Sunlight Alliance (LiSA), a U.S. DOE Energy Innovation Hub. His research team explores, discovers and understands energy-related materials via combinatorial and high throughput experimental methods and their integration with materials theory and artificial intelligence. The group seeks to accelerate scientific discovery by automating critical components of research workflows, from synthesis and screening to data interpretation and hypothesis generation. He received his B.A. in Math and Physics from Concordia College and PhD in Physics from Cornell University.


Physics-educated DL refines phase mappingGoogle AI post on data-driven materials discoveryDeep Reasoning Networks accelerate scientific discoveryFinding a Metal-Oxide Needle in a Periodic Table HaystackThe Scientific Autonomous Reasoning Agent (SARA), SARA part 2Integrated research drives the creation of materials knowledge for clean energyEmpower machine learning to predict properties of new materialsHigh throughput discovery of solar fuels materials

Team Members

  • Joel Haber (co-PI, LiSA)
  • Lan Zhou
  • Kevin Kan
  • Ryan Jones
  • Dan Guevarra
  • Yungchieh (Ty) Lai
  • Bryan Burnell (SURF)

Former Team Members

  • Jian Jin (Founding Project Lead)
  • Ja'Nya Breeden (WAVE)
  • Daphne Lucana (WAVE)
  • Matthias Richter
  • Paul Newhouse
  • Meyer (Misha) Pesenson
  • Ed Soedarmadji
  • Yu Wang
  • David Boyd
  • Helge Stein
  • Aniketa Shinde
  • Santosh Suram
  • Martin Marcin
  • Natalie Becerra+Stasiewicz
  • Slobodan Mitrovic
  • Sean Lin
  • Chengxiang Xiang
  • Xiaonao Liu