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

— — —

Postdoctoral Associates

Dr. Geemi Wellawatte

• SusEcoCCUS postdoc
• PhD at the university of Rochester NY (White Lab)
• BSc Computational Chemistry at University of Colombo Sri Lanka
• AI-based computational tools to solve chemistry problems

— — —

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

— —

Dr. Marta Brucka

• PhD in NMR methodology, University of Geneva
• MSc in Advanced Spectroscopy for Chemistry, University Lille 1 & University of Bologna
• Transitioning into the intersection of AI and scientific research

— —

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

— —

Oliver Schilter

• Started in April 2022 (based at IBM Research)
• MSc and BSc in Chemistry and Chemical Engineering, ETHZ

— —

Andres CM Bran

• Started in August 2022
• BSc in Chemistry and Chemical Engineering from Universidad de Antioquia, Medellin

— —

Junwu Chen

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

— —

Jeff Guo

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

— —

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)

— —

Paulo Neves

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

— —

Rebecca Neeser

• Started in April 2023
• Joint with LPDI
• BSc and Msc in Pharmaceutical Sciences from ETH Zurich and master thesis at MIT

— —

Sarina Kopf

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

— —

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

— —

Sacha Raffaud

• May 2023 - August 2023
• Master’s thesis
• BSc Natural Sciences at UCL
• MSc in Applied Computational Science and Engineering at Imperial College London

Sandro Agostini

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

Théo Neukomm

• Starting September, 2024
• MSc and BSc in Chemistry, EPFL

Project Students

Jenestin Anthonipillai

• Summer project & Master thesis
• MSc in Computer Science, University of St. Gallen

Anna Borisova

• February to June 2024
• Master thesis student
• EMJMD Theoretical Chemistry and Computational Modelling
• State University St. Petersburg / University of Helsinki

Octavian Susanu

• Bachelor Student in Chemistry at EPFL
• Summer in the Lab program, 2024

Ines Bouchama

• Master Student in Computer Science at EPFL

Victoire Lang

• Bachelor Student in Chemistry at EPFL

Shai Pranesh

• Visiting Master thesis student from BITS Pilani
• NCCR Catalysis Young Talents Fellow

Alex Oarga

• Visiting summer student from University of Barcelona
• Computer and Data Science

Aleksei Kudrinskii

• NeuroX, EPFL
• Master semester project student

Guillaume Malherbe

• Chemistry, EPFL
• Master semester project student

Alumni

Postdocs & Fellows

• Dr. Stéphane d’Ascoli (2023, now at Meta AI)

Project students

• 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)