Group Retreat, 2025
Current Students
AI for Mathematics, Efficient Scientific Computing
ML for Physical Science
ML for Quantum Chemistry
Generative Modeling, Inverse Problems
ML for Quantum Chemistry
AI for Science, AI for PDE
ML for Physical Science
Postdocs
Generative AI for Protein Design, ML for Quantum Chemistry
Physics-Informed ML for Science
AI for Chemistry
Monte Carlo for PDEs, Inverse Problems
Quantum Chemistry, Machine Learning
Awards
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George W. Housner Prize Caltech's highest undergraduate honor awarded for outstanding academic achievement and leadership, Miguel Liu-Schiaffini, 2025
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Milton and Francis Clauser Doctoral Prize Caltech's highest graduate honor awarded for outstanding doctoral dissertation research, Zongyi Li, 2025
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Chen Institute & Science Prize International award recognizing outstanding research that accelerates scientific discovery using AI, Zhuoran Qiao, 2025
- 3rd Place at SURF Seminar Day, Nicholas Adamo, 2022
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W. P. Carey & Co. Prize Caltech CMS award recognizing outstanding graduate student research and academic excellence, Florian Schäfer, 2021
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Bhansali Family Prize Caltech CMS award recognizing outstanding undergraduate research and academic excellence, Maya Srikanth, 2021
Fellowships
- Schmidt Sciences AI2050 Fellow, Zongyi Li, 2025
- Naren and Vinita Gupta Fellow, Jiachen Yao, 2025
- Kortschak Scholar, Maurice Hanisch, 2025
- Swartz Fellow, Bahareh Tolooshams, 2023
- NVIDIA Fellow, Zongyi Li, 2023
- PIMCO Fellow, Zongyi Li, 2022
- PIMCO Fellow, Pan Xu, 2022
- Amazon AI4Science Fellow, Zongyi Li, 2021
- CRA/CCC Computing Innovation Fellow, Rafal Kocielnik, 2020
- Kortschak Scholar, Zongyi Li, 2019
Alumni
Ph.D., Research Scientist at Meta FAIR
Ph.D., Postdoctoral Researcher at MIT
Ph.D., AI Research Scientist at Cedars-Sinai Medical Center
Ph.D., Senior ML Engineer
Ph.D., Assistant Professor at University of Alberta
Ph.D., Senior Research Scientist, Accenture
Ph.D., Research Scientist at NVIDIA
Ph.D., Research Scientist at NVIDIA
Ph.D., Senior Staff Algorithm Engineer at Neural Propulsion Systems, Inc
Ph.D., Founding Scientist at Chai Discovery
DPhil, Senior AI Engineer at Vicarious Surgical
Ph.D., Research Scientist at NVIDIA
Ph.D., Assistant Professor at Duke University
Ph.D., Assistant Professor at Georgia Tech
Ph.D., Assistant Professor at Northeastern University
Ph.D., Assistant Professor at UC San Diego
Ph.D., Assistant Professor at Johns Hopkins University
Ph.D., Senior Research Scientist at NVIDIA
Ph.D., Research Scientist at Rakuten Institue of Technology
Ph.D., Associate Professor at UC San Diego
Ph.D., Research Scientist at Facebook
Ph.D., Research Scientist at Google Brain
Ph.D., Associate Professor at University of Maryland, College Park
Ph.D., Research Scientist at Twitter
Undergrads, Visiting scholars and Interns
2025, from KAIST (Now at University of Oxford)
2025, from ETH Zurich (Now at Cambridge University)
Jiayi Zhou
2025, from Peking University
Adarsh Ganeshram
2025, from UC Berkeley
Nivedha Gopinath
2025, from IIT Bombay
Siyuan Jiang
2025, from University of Pennsylvania
2025, from California Institute of Technology
2025, from University of Copenhagen
2024, from California Institute of Technology
2024, from California Institute of Technology
2024, from Fudan University
2024, from Cambridge University
2024, from Ahmedabad University (Now at University of Oxford)
2023, from California Institute of Technology
2022, from California Institute of Technology
2022, from California Institute of Technology
2022, from California Institute of Technology
Inhoo Lee
2022, from California Institute of Technology
2022, from University of Edinburgh
2022, from IIT Madras
2022, from California Institute of Technology (Now at UCLA)
Zhouhao Yang
2022, from Shanghai Jiao Tong University
Snigdha Saha
2022, from California Institute of Technology
Robert Joseph George
2022, from University of Alberta
Yifei Zhang
2022, from University of Wisconsin–Madison
Haydn Maust
2022, from California Institute of Technology
Kimia Hassibi
2022, from California Institute of Technology
Miguel Liu-Schiaffini
2022, from California Institute of Technology
Rishi Gundakaram
2022, from California Institute of Technology
Idris Sunmola
2021, from Northwestern University (Now at Johns Hopkins University)
David Jin
2021, from California Institute of Technology
Derek Lin
2021, from California Institute of Technology
2021, from California Institute of Technology
2020, from California Institute of Technology
2020, from California Institute of Technology
2020, from University of Washington, Seattle
2019, from Shanghai Jiao Tong University (Now at Caltech)
2019, from California Institute of Technology
Qibing Ren
2019, from Shanghai Jiao Tong University
Albert Zhai
2019, from California Institute of Technology
Jihwan Bae
2019, from Gwangju Institute of Science and Technology (GIST)
2019, from Indian Institute of Technology Madras
Hongjie Chen
2018, from Shanghai Jiao Tong University (Now at ETH Zürich)
Jiawei Zhao
2018, from Nanjing University of Aeronautics and Astronautics (Now at Caltech)
Zongyi Li
2018, from Washington University in St. Louis