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Philippe Schwaller

Digital Chemistry / IBM Research Europe /

Application Areas

Artificial Intelligence


Philippe received his Bachelor’s and Master’s degrees from Bachelor’s and Master’s degrees from EPFL (École Polytechnique Fédérale de Lausanne, Switzerland). During his Master’s research, he started the extraction of layered materials from inorganic crystalline compounds databases and calculated the binding energy of the layers, as well as the elastic constants of the parent crystals, with density functional theory.

Since March 2017, Philippe hasbeen working for IBM Research – Europe in the Zurich lab, in the Cognitive Computing and Industry Solutions department and the Accelerated Discovery group. His main focus is on data-driven discovery and synthesis of novel molecules and materials. During this period, he also studied for one year at the University of Cambridge (MPhil in Physics), and completed his PhD at the University of Bern. Currently, as a postdoctoral researcher in accelerated discovery at IBM Research – Europe, Philippe's work is at the intersection of chemistry and machine learning, developing tools with practical value for chemists.

Research Interests

  • Deep learning
  • ML for chemistry
  • Reaction prediction
  • Synthesis planning
  • Accelerated discovery


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