| Pau Ferri Vicedo | Postdoc (2023-2025) |  | 
| Suseong Hyun | Visiting PhD Student from Yonsei University (2025) | Completing PhD at Yonsei University | 
| Mattias Akke | Visiting Master’s Student from Lund University (2025) |  | 
| Lucas Pinède | Visiting Master’s Student from Chimie ParisTech-PSL (2025) | Completing Master’s Degree from Chimie ParisTech-PSL, & Junior Scientist at Entalpic | 
| Hyukjun Lim | Visiting Undergraduate Student from Seoul National University (2025) | Completing BS Materials Science and Engineering at Seoul National University | 
| Yongliang Ou | Visiting PhD Student from University of Stuttgart (2025) | Completing PhD at University of Stuttgart | 
| Avni Singhal | PhD Student (2025) |  | 
| Blanche Tardif de Moidrey | Visiting Master’s Student from Sorbonne University and ENS Paris-Saclay (2025) |  | 
| Youness El Issmaeli | Visiting PhD Student from University of Quebec in Trois-Rivières (2025) | Completing PhD at University of Quebec in Trois-Rivières | 
| Amina Lahrichi | Visiting PhD Student from University of Quebec in Trois-Rivières (2025) | Completing PhD at University of Quebec in Trois-Rivières | 
| Pablo Leon | PhD Student (2020-2025) |  | 
| Alexander Hoffman | Postdoc (2022-2025) | Now Founding Scientist at Mirror Physics | 
| Sulin Liu | Postdoc (2023-2025) |  | 
| Nga (Neri) Vu | MSRP (2023-2025) | Now PhD Student at Johns Hopkins University | 
| Malte Franke | Visiting Master’s Student from RWTH Aachen (2024-2025) | Now at Dunia.ai | 
| Bjarke Hastrup | Visiting PhD Student from Technical University of Denmark (2024-2025) | Completing PhD at Technical University of Denmark | 
| Antonia Kuhn | Visiting Master’s Student from ETH Zurich (2024) | Now PhD Student at ETH Zurich (Computational Chemistry Group) | 
| Jiayu Peng | Postdoc (2022-2024) | Now Assistant Professor at University at Buffalo | 
| Eda Lozada | UROP (2023-2024) | Completing Bachelors in Physics at MIT (2027) | 
| Lucien Brey | Visiting Master’s Student from EPFL (2024) | Now ML Scientist at Atinary Technologies | 
| Aik Rui Tan | PhD Student (2019-2024) | Now Software Engineer at Applied Materials | 
| Kevin Greenman | PhD Student (2019-2024) | Now Assistant Professor at Catholic Institute of Technology | 
| Ray Wang | UROP (2023-2024) 
 | Pursuing SB in Computer Science at MIT (2025) | 
| Temujin Orkhon | UROP (2023-2024) | Pursuing SB in Chemistry at MIT (2026) | 
| Rohil Badkundri | UROP from Harvard (2023-2024) | Now at EvolutionaryScale | 
| Eiji Kanda | Visitor from Toyota Motor Corporation (Japan) | Now at Toyota Motor Corporation (Japan) | 
| James Damewood | PhD Student (2018-2024) |  | 
| Johannes Dietschreit | Postdoc (2021-2023) | Now Group Leader at University of Vienna | 
| Robert Strothmann | Visiting PhD Student from Fritz Haber Institute | Completing PhD at Fritz Haber Institute | 
| Amin Debabeche | Visiting Master’s Student from EPFL |  | 
| Simon Axelrod | PhD Student (2019-2023) | Now at D.E. Shaw Research (DESRES) | 
| Lucia Vina Lopez | Visiting Postbaccalaureate Researcher (2022-2023) | Rejoined our group as PhD Student | 
| Gavin Winter | PhD Student (2020-2023) |  | 
| Yuliia Orlova | Master’s Student (2021-2023) | Now at Schrodinger | 
| Yitong Tseo | PhD Student (2022-2023) |  | 
| Max Tiefenbacher | Visiting PhD Student from University of Vienna (2023) | Completing PhD at University of Vienna | 
| Saumya Thakur | Visiting BS/MS Researcher from IIT – Bombay (2022-2023) | Now at Accenture Japan | 
| Jonathan Shan | UROP (2022-2023) | Pursuing BASc in MSE at University of Toronto (2024) | 
| Temiloluwa Akande | UROP (2023) | Pursuing BS Chemical Engineering at Howard University (2024) | 
| Jaclyn Lunger | PhD Student (2020-2023) | Now at Flagship Pioneering FL96 | 
| Tetsunori Morishita | Visitor (2022-2023) | Now at Toyota Motor Corporation (Japan) | 
| Nathan Walemba | Visiting Master’s Student, University of Oxford (2022-2023) | Now at J.P. Morgan | 
| Reisel Millán Cabrera | Postdoc (2021-2022) | Now a Postdoc at Instituto de Tecnología Química (ITQ) (UPV-CSIC) | 
| Gilford Ting | UROP (2022) | Pursuing Bachelors in EECS at MIT (2026) | 
| Alor Sahoo | UROP (2022) | Pursuing SB in Computer Science at MIT (2026) | 
| Martin Šípka | Visiting PhD Student (2022) | Completing PhD at Charles University (Prague, Czech Republic) | 
| Hoje Chun | Visiting PhD Student (2022) | Rejoined our group as a postdoc | 
| Wujie Wang | PhD Student (2018-2022) | Now at Generate Biomedicines | 
| Jessica Karaguesian | Master’s Student (2020-2022) | Now a Knight-Hennessy Scholar / PhD Student at Stanford | 
| Gabe Bradford | Master’s Student (2020-2022) | Now at Urbix | 
| Daniel Schwalbe-Koda | PhD Student (2018-2022) | Now a postdoc at LLNL, Incoming Assistant Professor at UCLA DMSE | 
| Somesh Mohapatra | PhD Student (2018-2022) | Now at Caterpillar, Inc. | 
| Omar A. Santiago-Reyes | UROP (2020-2022) | Now a PhD Student at Caltech | 
| Joyce An | UROP (2020-2022) | Now a PhD Student at Stanford | 
| Cale Gregory | UROP (2022) | Pursuing SB in Computer Science at MIT (2023) | 
| Elenna Kim | UROP (2022) | Pursuing SB in Computer Science at MIT (2025) | 
| Aditi Saayujya | UROP (2021-22) | Pursuing SB in Materials Science and Engineering at MIT (2022) | 
| Johannes P. Dürholt | Visitor (2022) | Now at Evonik | 
| Jakub Lála | Visiting Master’s Student, Imperial College London (2021) | Now at The Francis Crick Institute / Nucleate | 
| Yu Yang (Fredrik) Liu | Postdoc (2020-2021) | Now Founder at DeepVerse | 
| Shi Jun Ang | Postdoc (2019-2021) | Now at A*STAR (Singapore) | 
| Tzuhsiung (Nick) Yang | Postdoc (2019-2021) | Now Assistant Professor at National Tsing Hua University (NTHU) | 
| Ricky Osterude Rey | UROP (2019-2020) | Now at Tesla | 
| Diego Raygoza-Castanos | UROP (2019-2020) | Pursuing SB in Computer Science and Mathematics at MIT (2022) | 
| William H Harris | Master’s Student (2018-2020) | Now at Apro Resources, Inc | 
| Daniel Marti Dafcik | Visiting Master’s Student, ETH Zurich (2020) | Now a PhD Student at Oxford University | 
| Jurģis Ruža | Visiting Master’s Student, EPFL (2020) | Rejoined our group as a DMSE PhD student | 
| Alexis Gervaix | Visiting Master’s Student, EPFL (2019) | Now at GentleTouch / Swiss Airtainer | 
| Alexandra Dima | UROP (2018) | Now a SWE at Hudson River Trading | 
| Soumya Ram | UROP (2018) | Now an Applied Scientist at Microsoft | 
| Darnell Granberry | UROP (2018) | Now an ML Engineer at New York Structural Biology Center |