Team

Principal Investigator

Prof. Philippe Schwaller

Philippe Schwaller joined EPFL as a tenure-track assistant professor in the Institute of Chemical Sciences and Engineering in February 2022. He leads the Laboratory of Artificial Chemical Intelligence, which works on AI-accelerated discovery and synthesis of molecules. Philippe is also a core PI of the NCCR Catalysis, a Swiss centre for sustainable chemistry research, education, and innovation. He belongs to a new generation of scientists with a broad set of skills – in his case a combination of chemistry, materials science, computer science, and experimental research.

5 years at IBM Research – Zurich (with Dr. Teodoro Laino)
PhD (2021) in Chemistry and Molecular Sciences (with Prof. Jean-Louis Reymond), University of Bern
MPhil (2019) in Physics, University of Cambridge
BSc (2014) and MSc (2016) in Materials Science & Engineering, EPFL

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Postdoctoral Associates

Dr. Zlatko Jončev

PhD at the University of Basel (Sparr Group)
BSc and MSc in Organic Chemistry (Alfred Werner Fellow)
Research interests include ML assisted Strategic Synthesis Planning, Automated Experimentation, and Acceleration of Drug Discovery
Unpaid leave, co-founded B-12 (YC ’25)

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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

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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

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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

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Administrative Assistant

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

PhD Students

Bojana Ranković

Started in March 2022
MSc in Computer Science, EPFL
BSc in Computer Science, University of Belgrade

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Andres CM Bran

Started in August 2022
BSc in Chemistry and Chemical Engineering from Universidad de Antioquia, Medellin
unpaid leave, co-founded B-12 (YC `25)

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Junwu Chen

Started in August 2022
MSc in Chemical Engineering from University of Chinese Academy of Sciences, Beijing

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Jeff Guo

Started in September 2022
AstraZeneca Grad Program
MRes, Imperial College London and BSc, McGill University

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Víctor Sabanza Gil

Started in October 2022
Joint with LPDC
MSc in Complex Systems Chemistry, Université de Strasbourg (France)
BSc in Chemistry, Universidad de La Rioja (Spain)

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Paulo Neves

Started in January 2023 (with Janssen Pharmaceuticals)
BSc and MSc in Physics Engineering, NOVA School of Science and Technology

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Rebecca Neeser

Started in April 2023
Joint with LPDI, funded by VantAI
BSc and Msc in Pharmaceutical Sciences from ETH Zurich and master thesis at MIT

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Sarina Kopf

Started in August 2023
Joint with Prof. Nevado (UZH)
Fulbright Scholar (EPFL)
BSc in Biological Chemistry from Grinnell College (US)

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Daniel Armstrong

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

Joshua Sin

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

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Sandro Agostini

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

Théo Neukomm

Started September, 2024
MSc and BSc in Chemistry, EPFL

Salomé Guilbert

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

Amin Mansouri

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

Cassandra Masschelein

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

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

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

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

Engineers

Jeremy Goumaz

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)