Team

Principal Investigator

Postdoctoral Associates

Dr. Edvin Fako

  • Quantum Chemistry and Machine Learning. Heterogeneous Catalysis at BASF
  • PhD in Chemical Engineering, Universitat Rovira i Virgili & ICIQ
  • MSc and BSc in Physical Chemistry, University of Belgrade
  • Sciblend on Instagram

Dr. Sergey Pozdnyakov

  • PhD at EPFL (Ceriotti group)
  • MSc in Data Science, Skolkovo Institute of Science and Technology
  • BSc in Applied Physics and Mathematics, MIPT

Dr. Julian Götz

  • External postdoc in Autonomous AI Systems, at Roche
  • PhD in Chemistry at ETHZ (Bode group)
  • BSc and MSc in Chemistry, University of Würzburg

Administrative Assistant

Annick Gaudin () – the amazing person who makes sure that all things run smoothly.

PhD Students

Daniel Armstrong

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  • Started in September 2023
  • MSc Information Technology, Glasgow
  • MChem from University of St. Andrews
  • Amazon Alexa Prize 2nd Place
Joshua Sin

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  • Started in October 2023 (with Roche)
  • MChem from University of Oxford

Sandro Agostini

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  • Started in October 2023 (based at IBM Research)
  • MSc and BSc in Physics, ETH
Théo Neukomm

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  • Started September, 2024
  • MSc and BSc in Chemistry, EPFL
Salomé Guilbert

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  • Started October, 2024
  • MChem in Chemistry, University of Edinburgh
  • Co-supervised by Prof. Ursula Röthlisberger
Amin Mansouri

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  • Started April, 2025
  • MSc from Mila
  • Previously at EPFL, ETH Zurich, Riken AIP Japan
Cassandra Masschelein

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  • Started September, 2025, funded by Valence Labs
  • Machine Learning Scientist intern at Valence Labs/Recursion
  • BSc (Integrated Science) and MSc (Computational Science and Engineering) from McMaster University
Bohdan Naida

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  • Started September, 2025
  • Machine Learning Engineer at UC Berkeley and AstraZeneca
  • MSc in Computer Science, University of Toronto
  • BSc in Applied Sciences and AI, Kyiv Polytechnic Institute
Xuan Vu Nguyen

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  • Started October, 2025
  • AI Software Engineer, Aimesoft
  • MSc in Cheminformatics and AI, triple degree Paris/Milano/Strasbourg
  • BSc in Chemistry, University of Science and Technology of Hanoi
Rémi Schlama

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  • Started October, 2025
  • MSc from Mila
  • Previously at EPFL, ETH Zurich, Riken AIP Japan

Engineers

Jeremy Goumaz

Jeremy's profile picture

  • Shared with Prof. Maria Brbic
  • BSc and MSc from EPFL
Ryo Kuroki

Visiting PhD students

Eric Alcaide

Project Students

Nichelle Sequeira
Zeineb Mellouli
Yedong Xie
Melih Gokay Yigit
Orkhan Abdullayev

Alumni

Postdocs & Fellows

  • Dr. Stéphane d’Ascoli (2023, now at Meta AI)
  • Dr. Geemi Wellawatte (2023-2024, now overseeing academic program at FutureHouse)
  • Dr. Marta Brucka (2023-2024, now Application Scientist at ENANTIOS)

PhD students

  • Dr. Oliver Schilter (2022-2025, now Senior AI Engineer at Sphere Energy)

Visiting PhD students

  • Matt Hart (visiting from University of North Carolina at Chapel Hill)
  • Juliette Fenogli (visiting from École Normale Supérieure - PSL)
  • Rostislav Fedorov (visiting from Heidelberg Institute for Theoretical Studies)

Project students

  • Octavian Susanu (EPFL, intern, 2024-2025)
  • David Segura (EPFL, Master thesis student, 2025)
  • Cedric Rossboth (EPFL, Master semester project, 2025)
  • Marko Simic (EPFL, Master semester project, 2025)
  • Milena Wiegand (EPFL, Master intern, 2025)
  • Matéo Tatzber (EPFL, Master semester project, 2025)
  • Arne Beckmann (EPFL, Master semester project, 2024)
  • Huixuan Guo (NTU, summer internship, 2024)
  • Guillaume Malherbe (EPFL, Master semester project, 2024)
  • Aleksei Kudrinskii (NeuroX, EPFL, Master semester project, 2024)
  • Alex Oarga (University of Barcelona, summer intern, 2024)
  • Shai Pranesh (BITS Pilani, NCCR Catalysis Young Talent, 2024-2025)
  • Victoire Lang (EPFL, summer intern, 2024)
  • Ines Bouchama (EPFL/ETHZ, semester projects, 2024-2025)
  • Anna Borisova (EMJMD, Master thesis, 2024)
  • Jenestin Anthonipillai (University of St. Gallen, Master thesis, 2024)
  • Franziska Weißbach (TU Berlin, Master valorisation, Summer 2024, now in Jorner Lab at ETHZ)
  • Magdalena Lederbauer (ETHZ, Master Semester project, Spring 2024)
  • Rémi Schlama (EPFL, Master Semester projects, 2023-2024)
  • Tugdual Kerjan (EPFL CS, Master Semester project, Spring 2024)
  • Colleen Lonfat (EPFL, Master Semester project, Spring 2024)
  • Ziad El Maki (EPFL, Master Semester project, Fall 2023)
  • Yifan Du (Zhejiang University, Bachelor thesis, Fall 2023)
  • Cheng-Hua (Lance) Huang (EPFL, Master thesis & valorisation, 2023-2024)
  • Peri Yerlikaya (EPFL, Laidlaw Scholar, Summer 2023)
  • Xu Huang (Shanghai Jiao Tong University, Bachelor thesis, Spring 2023)
  • Ximena Leyva Peralta (Yale University, Summer 2023)
  • Tanya Gupta (IIT Dehli, Summer 2023)
  • Lucien Brey (EPFL, Master semester project, Spring 2023)
  • Malte Franke (Aachen/EPFL exchange, Master semester project, Spring 2023)
  • Artur Stefaniuk (EPFL, Master thesis, Spring 2023)
  • Anna Kapeliukha (Taras Shevchenko National University of Kyiv, Ukraine, Spring 2023)
  • Théo Neukomm (EPFL, Master semester project, Fall 2022)