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The Team


Principal Investigator

Rafael Gómez-Bombarelli

Postdoctoral Researchers

Hoje ChunSauradeep
Majumdar
KyuJung JunMiguel SteinerBowen Deng

Graduate Students

Swagata RoyJurģis RužaAkshay
Subramanian
Mingrou XieXiaochen Du
Soojung YangTatem RiosLauren ChuaTy PerezNofit Segal
Pengfei CaiJuno NamTiger
Lortaraprasert
Adithya
Sreenivasan
Artur Lyssenko
Lucia Vina LopezKatharina JägerJesus Diaz
Sanchez
Sathya
Edamadaka

Undergraduate Students

Rey LiSB Computer Science and Engineering at MIT (2026)
Neha BasuSB Materials Science and Engineering at MIT (2026)
Anna BeckSB Materials Science and Engineering at MIT (2027)

Alumni

Pau Ferri VicedoPostdoc (2023-2025)
Suseong HyunVisiting PhD Student from Yonsei University (2025)Completing PhD at Yonsei University
Mattias AkkeVisiting Master’s Student from Lund University (2025)
Lucas PinèdeVisiting Master’s Student from Chimie ParisTech-PSL (2025)Completing Master’s Degree from Chimie ParisTech-PSL, & Junior Scientist at Entalpic
Hyukjun LimVisiting Undergraduate Student from Seoul National University (2025)Completing BS Materials Science and Engineering at Seoul National University
Yongliang OuVisiting PhD Student from University of Stuttgart (2025)Completing PhD at University of Stuttgart
Avni SinghalPhD Student (2025)
Blanche Tardif de MoidreyVisiting Master’s Student from Sorbonne University and ENS Paris-Saclay (2025)
Youness El IssmaeliVisiting PhD Student from University of Quebec in Trois-Rivières (2025)Completing PhD at University of Quebec in Trois-Rivières
Amina LahrichiVisiting PhD Student from University of Quebec in Trois-Rivières (2025)Completing PhD at University of Quebec in Trois-Rivières
Pablo LeonPhD Student (2020-2025)
Alexander HoffmanPostdoc (2022-2025)Now Founding Scientist at Mirror Physics
Sulin LiuPostdoc (2023-2025)
Nga (Neri) VuMSRP (2023-2025)Now PhD Student at Johns Hopkins University
Malte FrankeVisiting Master’s Student from RWTH Aachen (2024-2025)Now at Dunia.ai
Bjarke HastrupVisiting PhD Student from Technical University of Denmark (2024-2025)Completing PhD at Technical University of Denmark
Antonia KuhnVisiting Master’s Student from ETH Zurich (2024)Now PhD Student at ETH Zurich (Computational Chemistry Group)
Jiayu PengPostdoc (2022-2024)Now Assistant Professor at University at Buffalo
Eda LozadaUROP (2023-2024)Completing Bachelors in Physics at MIT (2027)
Lucien BreyVisiting Master’s Student from EPFL (2024)Now ML Scientist at Atinary Technologies
Aik Rui TanPhD Student (2019-2024)Now Software Engineer at Applied Materials
Kevin GreenmanPhD Student (2019-2024)Now Assistant Professor at Catholic Institute of Technology
Ray WangUROP (2023-2024)
Pursuing SB in Computer Science at MIT (2025)
Temujin OrkhonUROP (2023-2024)Pursuing SB in Chemistry at MIT (2026)
Rohil BadkundriUROP from Harvard (2023-2024)Now at EvolutionaryScale
Eiji KandaVisitor from Toyota Motor Corporation (Japan)Now at Toyota Motor Corporation (Japan)
James DamewoodPhD Student (2018-2024) 
Johannes DietschreitPostdoc (2021-2023) Now Group Leader at University of Vienna
Robert StrothmannVisiting PhD Student from Fritz Haber Institute Completing PhD at Fritz Haber Institute
Amin DebabecheVisiting Master’s Student from EPFL 
Simon AxelrodPhD Student (2019-2023)Now at D.E. Shaw Research (DESRES)
Lucia Vina LopezVisiting Postbaccalaureate Researcher (2022-2023)Rejoined our group as PhD Student
Gavin WinterPhD Student (2020-2023) 
Yuliia OrlovaMaster’s Student (2021-2023)Now at Schrodinger
Yitong TseoPhD Student (2022-2023) 
Max TiefenbacherVisiting PhD Student from University of Vienna (2023)Completing PhD at University of Vienna
Saumya ThakurVisiting BS/MS Researcher from IIT – Bombay (2022-2023)Now at Accenture Japan
Jonathan ShanUROP (2022-2023)Pursuing BASc in MSE at University of Toronto (2024)
Temiloluwa AkandeUROP (2023)Pursuing BS Chemical Engineering at Howard University (2024)
Jaclyn LungerPhD Student (2020-2023)Now at Flagship Pioneering FL96
Tetsunori MorishitaVisitor (2022-2023)Now at Toyota Motor Corporation (Japan)
Nathan WalembaVisiting Master’s Student, University of Oxford (2022-2023)Now at J.P. Morgan
Reisel Millán CabreraPostdoc (2021-2022)Now a Postdoc at Instituto de Tecnología Química (ITQ) (UPV-CSIC)
Gilford TingUROP (2022)Pursuing Bachelors in EECS at MIT (2026)
Alor SahooUROP (2022)Pursuing SB in Computer Science at MIT (2026)
Martin ŠípkaVisiting PhD Student (2022)Completing PhD at Charles University (Prague, Czech Republic)
Hoje ChunVisiting PhD Student (2022)Rejoined our group as a postdoc
Wujie WangPhD Student (2018-2022)Now at Generate Biomedicines
Jessica KaraguesianMaster’s Student (2020-2022)Now a Knight-Hennessy Scholar / PhD Student at Stanford
Gabe BradfordMaster’s Student (2020-2022)Now at Urbix
Daniel Schwalbe-KodaPhD Student (2018-2022)Now a postdoc at LLNL, Incoming Assistant Professor at UCLA DMSE
Somesh MohapatraPhD Student (2018-2022)Now at Caterpillar, Inc.
Omar A. Santiago-ReyesUROP (2020-2022)Now a PhD Student at Caltech
Joyce AnUROP (2020-2022)Now a PhD Student at Stanford
Cale GregoryUROP (2022)Pursuing SB in Computer Science at MIT (2023)
Elenna KimUROP (2022)Pursuing SB in Computer Science at MIT (2025)
Aditi SaayujyaUROP (2021-22)Pursuing SB in Materials Science and Engineering at MIT (2022)
Johannes P. DürholtVisitor (2022)Now at Evonik
Jakub LálaVisiting Master’s Student, Imperial College London (2021)Now at The Francis Crick Institute / Nucleate
Yu Yang (Fredrik) LiuPostdoc (2020-2021)Now Founder at DeepVerse
Shi Jun AngPostdoc (2019-2021)Now at A*STAR (Singapore)
Tzuhsiung (Nick) YangPostdoc (2019-2021)Now Assistant Professor at National Tsing Hua University (NTHU)
Ricky Osterude ReyUROP (2019-2020)Now at Tesla
Diego Raygoza-CastanosUROP (2019-2020)Pursuing SB in Computer Science and Mathematics at MIT (2022)
William H HarrisMaster’s Student (2018-2020)Now at Apro Resources, Inc
Daniel Marti DafcikVisiting Master’s Student, ETH Zurich (2020)Now a PhD Student at Oxford University
Jurģis RužaVisiting Master’s Student, EPFL (2020)Rejoined our group as a DMSE PhD student
Alexis GervaixVisiting Master’s Student, EPFL (2019)Now at GentleTouch / Swiss Airtainer
Alexandra DimaUROP (2018)Now a SWE at Hudson River Trading
Soumya RamUROP (2018)Now an Applied Scientist at Microsoft
Darnell GranberryUROP (2018)Now an ML Engineer at New York Structural Biology Center