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Talk and seminars


  • Invited e-seminars

    • Department of Chemistry EPFL

    • Randell Centre, Kings College London

    • Department of Chemistry, Illinois Institute of Technology

    • Computational Medicine and Bioinformatics, University of Michigan

    • Department of Physics, Vanderbilt University 

    • National Research Council of Italy 

  • Society of Medicines Research, "The reality of Artificial Intelligence in drug discovery" (Invited talk)​


  • Folding@Home 20th Anniversary Webinar (Invited talk) 

  • Global Pharma R&D AI, Data Science & Informatics Summit, Global Engage (Invited talk)

  • Annual AI In Drug Development Congress, Oxford Global (Invited talk)


  • BiGMax workshop on Big-Data-Driven Materials Science, Max Planck Institute for the Physics of Complex Systems, Dresden, Germany (Invited talk)

  • CECAM workshop on “Progress and developments of artificial intelligence for drug design”, Genoa, Italy (Invited talk)

  • Gordan Research Conference in Computer Aided Drug Discovery, Vermont, USA (Invited talk)

  • International Conference on Energy Materials and Interfaces, North East Centre for Energy Materials, Newcastle, UK (Invited talk)

  • Royal Society of Chemistry AI in Chemistry Workshop, Cambridge, UK (Invited talk)

  • Competence Center for Computational Chemistry Workshop, Zurich, Switzerland (Invited talk)

  • German Chemoinformatics Conference, Mainz, Germany (Invited talk)

  • Global Pharma R&D Informatics and AI Congress, London (Invited talk)


  • CECAM School on “Machine Learning in Scientific Computing”, Nierstein, Germany (Invited talk)

  • CECAM/Institute of Physics of the Chinese Academy of Science School on “Understanding Molecular Simulation”, Beijing, China (Invited talk)

  • "New Vistas in Molecular Thermodynamics", Humbolt Kolleg, UC Berkeley (Invited talk)

  • European/German Physical Society Condensed Matter Spring Division Meeting (Invited talk)

  • CECAM workshop on "Electrostatics in Concentrated Electrolytes" (co-organiser)


  • CompChemKitchen, University of Oxford (Invited talk)

  • User General Meeting, rdKit

  • 2nd Edwards Symposium on Challenges in Soft Matter, University of Cambridge (Invited talk)er

  • CECAM workshop on "Exploiting Finite Size Effect in Simulations" (Invited talk)

  • Computational statistics club, Memorial Slone Kettering Cancer Center (Invited talk) 

  • Physical Mathematics Seminar, MIT (Invited talk)

  • Lorentz Centre workshop "Understanding Ionic Liquids on Different Length and Time Scales"

  • Workshop on "anomalous screening in electrolytes", Weizmann Institute (Invited talk)

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