INVITED TALKS

[Jun 2023] ICQC meeting in Bratislava, SK
[Dec 2022] Löwdin lectures, Uppsala, SE
[Dec 2022] Theoretical Chemistry Seminar, University of Cambridge, UK
[Sep 2022] Aslla Symposium, KIST, Seoul, KR
[Sep 2022] Talk at MLQC4Dyn program, Paris, FR (remotely)
[Sep 2022] BIFOLD Opening Symposium, TU Berlin, DE
[Aug 2022] Acceleration Consortium Conference, Toronto, CA
[Jun 2022] NAWA workshop on ‘Materials Informatics’,Warsaw, PL (declined due to conflict)
[May 2022] Beilstein Bozen Symposium 2022 “Simulation and AI in the Future Science”, Rudesheim, DE (declined due to conflict)
[Apr 2022] “Quantum Machine Learning” – Talk at SIMPLAIX kick-off meeting, Heidelberg, DE
[Apr 2022] IPAM “Model Reduction in Quantum Mechanics”, IPAM, UCLA, CA, USA (declined due to conflict)
[Mar 2022] “Molecular Machines Group” , Foresight Institute, San Francisco, USA (online)
[Dec 2021] “Vision Weekend Europe”, Foresight Institute’s Molecular Machines Group, Chateau du Fey, FR (online)
[Nov 2021] “AI3SD Autumn Seminar Series”, Quantum Machine Learning, University of South Hampton, UK (online)
[Oct 2021] ICL “Theoretical, Computational and Data Driven” research theme, London, UK (online)
[Oct 2021] LJC Discussion group, University of Cambridge, UK (online)
[Oct 2021] CMD Seminar, Department of Chemistry, Physical and Theoretical Chemistry, Graz, AUT
[Sep 2021] SFB TACO, TU Wien, Vienna, AT
[Jul 2021] “nanoSeminars”, Nano technology and materials science, TU Dresden, DE (online)
[Jul 2021] “Machine learning for Quantum X”, ISIS, KIT (online)
[Jul 2021] VISTA “Symposium on AI and Data-Science assisted Synthesis”, Max-Planck-Institute, Mainz, DE (online)
[Jun 2021] Introductory talk at “Big Data and Machine Learning in Chemistry”, EPFL/ETHZ summer school, Lausanne, CH (online)
[Jun 2021] Telluride Workshop on Computational Materials Chemistry, Telluride, CO, USA (declined)
[Apr 2021] Seminar Forschungsplattform Data Science, Vienna, AT (online)
[Apr 2021] Seminar Helmholtz Information & Data Science Lecture, DASHH, Hamburg, DE (online)
[Mar 2021] Physik Kolloquium, Graz, AT (online)
[Jan 2021] ABC Seminar, Vienna, AT (online)
[Dec 2020] PACIFICHEM, Honolulu, Hawai, USA (declined)
[Dec 2020] CHAINS2020 focus session Molecular Simulations Meets ML and AI, Groningen, NL (online)
[Dec 2020] Seminar “condensed matter and statistical mechanics”, The Abdus Salam ICTP, Trieste, IT (online)
[Nov 2020] International Symposium on Machine Learning in Quantum Chemistry (SMLQC), Xiamen, CN (declined).
[Sep 2020] Psi-k Symposium “Machine Learning for Many-Body Quantum Physics”, Lausanne, CH (cancelled)
[Sep 2020] Case study in CSE, ETHZ, CH (online)
[Sep 2020] CECAM workshop “(Machine) learning how to coarse-grain”, Max-Planck-Institute, Mainz, DE (online)
[Jul 2020] International Mini-Symposium on Molecular Machine Learning, University of Muenster, DE (online)
[Jul 2020] ELLIS meeting on Quantum and Physics based machine learning, Tuebingen, DE (online)
[Jun 2020] Workshop on Data enabled atomistic modelling, Abingdon, UK (declined)
[Jun 2020] “Multi-scale modelling: New modelling approaches” conference, Uppsala, SE (online)
[Jun 2020] Symposium on Frontiers in Machine Learning for Molecular Science, Shanghai, CN (declined)
[Jun 2020] Beilstein Bozen Symposium “Models of Convenience”, Rüdesheim, DE (cancelled)
[Jun 2020] Seminar, Max Planck Institute for Informatics, Saarbruecken, DE (postponed)
[Jun 2020] Symposium on Frontiers in Machine Learning for Molecular Science, Shanghai, CN (declined)
[May 2020] SIAM Conference on Mathematical Aspects of Materials Science, Bilbao ES (postponed)
[Apr 2020] Annual Meeting 2020 of the Swedish e-Science Research Centre (SeRC), Stockholm, SE (declined)
[Mar 2020] ACS Meeting “Artificial Intelligence for Materials Chemistry”, Philadelphia, PA, USA (cancelled)
[Feb 2020] Virtual Winter School of Computational Chemistry, AT
[Feb 2020] Workshop “Materials Acceleration Platforms: AI/Robotics/Computation for accelerated discovery”, Toronto, CA
[Feb 2020] 60th Sanibel Symposium, St. Simons Island, GA, USA (declined)
[Jan 2020] IWR-Colloquium, HGS MathComp, Heidelberg University, Heidelberg, DE
[Dec 2019] Workshop “Organic Force Fields Using Machine Learning” Flatiron Institute, New York, USA
[Dec 2019] IPAM “ Culminating Workshop, Lake Arrowhead, CA, USA
[Dec 2019] MRS meeting, Boston, MA, USA
[Nov 2019] HGS MathComp Annual Colloquium “MATHEMATIKON”, Heidelberg University, Heidelberg, DE
[Nov 2019] NSF MolSSI Workshop “Machine learning and chemistry: challenges on the way forward”, College Park, MD, USA (declined)
[Oct 2019] CECAM Application for “Thinking outside the box – beyond machine learning for quantum chemistry”, Bremen, DE
[Oct 2019] Workshop II “Interpretable Learning in Physical Sciences”, IPAM, UCLA, CA, USA
[Sep 2019] “Machine Learning for Physics and the Physics of Learning Tutorials”, IPAM, UCLA, CA, USA
[Sep 2019] Symposium “German Physical Society on Quantum Science and Information Technologies”, Freiburg, DE (declined)
[Aug 2019] Workshop Lecture at “Machine Learning for Quantum Matter”, Nordita, Stockholm, SE
[Aug 2019] 2nd Artificial Intelligence for Materials Science (AIMS) workshop, Gaithersburg, MD, USA (declined)
[Aug 2019] Lecture, CECAM workshop, Liverpool, UK (declined)
[Jul 2019] Lecture, DFT 2019, Alicante, ES
[Apr 2019] Keynote lecture, BigMax meeting, MPI Dresden, DE
[Mar 2019] ACS meeting, Orlando, Florida, USA
[Mar 2019] Presentation, 6th conference computational molecular science (CMS), University of Warwick, UK
[Feb 2019] Lecture, 1st International Symposium Materials Informatics, Tokyo, JP
[Jan 2019] Lecture, Deep Learning Winterschool, Hull, UK
[Jan 2019] Seminar, Sorbonne, Paris, FR
[Dec 2018] Lecture, Helsinki Winterschool Theoretical Chemistry, Helsinki, FI
[Dec 2018] Seminar, Vienna Computational Materials Laboratory, Vienna, AT
[Nov 2018] MRS meeting, Boston, MA, USA
[Nov 2018] Seminar, Quantum Chemistry Lowdin lecture symposium, Uppsala University, SE
[Oct 2018] CECAM workshop, ”Frontiers in Molecular Dynamics: Machine Learning, Deep Learning and Coarse graining”, Tel-Aviv University, IL
[Oct 2018] Symposium ”Artificial Intelligence in Chemical Research”, Syngenta Research Center, Stein, CH
[Oct 2018] Workshop ”Machine Learning in Chemistry and Materials”, Telluride, Co, USA
[Sep 2018] CECAM workshop, ”Improving the accuracy of ab-initio predictions for materials”, Paris, FR
[Sep 2018] CECAM workshop, ”Machine Learning in Scientific Computing”, Nierstein, DE
[Sep 2018] Workshop, Samsung Future Tech Forum, Seoul, KR
[Aug 2018] ACS Symposium, Boston, USA
[Aug 2018] CAMD summer school, Copenhagen, DK
[Jul 2018] Workshop ”multi-scale QM methods”, Telluride, Co, USA
[Jul 2018] Workshop ”many-body interactions”, Telluride, Co, USA
[Jul 2018] Summer school, Technical University Munich, Bavaria, DE
[Jun 2018] IAQMS 16-ICQC satellite meeting ”Computational chemistry meets artificial intelligence”, EPFL, CH
[Jun 2018] Reunion ”Understanding Many-Particle Systems with Machine Learning”, Lake Arrowhead, UCLA, CA, USA
[May 2018] Kolloquium fuer Physikalische Chemie, Department of Chemistry, ETHZ, CH
[Apr 2018] Seminar, Bremen Center for Computational Materials Science, University of Bremen, DE
[Apr 2018] Seminar, Department of Physical Chemistry, University of Chemistry and Technology, Prague, CZ
[Apr 2018] Workshop ”Material Digital”, Fraunhofer Institute, Freiburg, DE
[Mar 2018] Keynote lecture at Symposium on ”Machine Learning for Catalysis Research”, ACS meeting, New Orleans, LA, USA
[Jan 2018] Alexander von Humboldt Workshop ”New Vistas in Molecular Thermodynamics: Experimentation, Molecular Modeling, and Inverse Design”, UC Berkeley, CA, USA
[Jan 2018] Swiss Nano Institute winterschool ”Nanoscience in the snow”, Muerren, CH
[Dec 2017] 2 workshops at NIPS Conference, CA, USA
[Dec 2017] International workshop on atomic physics, Max-Planck Institute for physics of complex systems, Dresden, D
[Nov 2017] Conference on ”Machine Learning and Molecules”, University of Copenhagen, Copenhagen, DK
[Nov 2017] Seminar, Chemistry department, Cambridge University, UK
[Sep 2017] Keynote lecture at NOMAD summer, Humboldt University, Berlin, DE
[Sep 2017] CECAM workshop, Lausanne, CH
[Sep 2017] Mission Innovation, Mexico City, MX
[Aug 2017] Brazilian Summer School of Molecular Modeling, Universidade Federal Do ABC, BR
[Aug 2017] ACS symposium ”Extending accuracy and scales with emerging computing architectures and algorithms”, Washington DC, USA
[Jun 2017] NYU Summer School on ”Machine Learning in Computational Chemistry”, Computational Chemistry Center NYU Shanghai, China
[Jun 2017] Workshop on Recent Developments in Electronic Structure Theory, Princeton, USA
[Jun 2017] IMPRESS workshop, Helsinki, FI
[May 2017] Doctoral school on ”Machine Learning for Atomistic Simulation”, Lucca, IT
[Apr 2017] In COMP Session on ”Methods for Modeling Materials Chemistry”, ACS spring meeting, San Francisco, CA, USA
[Apr 2017] In CATL Session on ”Machine Learning Tools”, ACS spring meeting, San Francisco, CA, USA
[Mar 2017] RIKEN AICS workshop, Kobe, JP
[Mar 2017] Research center Juelich, Functional Nanostructures at Surfaces (PGI-3) group, Juelich, Germany
[Mar 2017] In Focus session on ”Computational Discovery and Design of Novel Materials”, APS meeting, New Orleans, LA, USA
[Mar 2017] Intel eSeminar
[Mar 2017] Global Pfizer Computational Chemistry Network Group eSeminar, WebEx
[Jan 2017] Symposium on ”Integrated Data Assimilation”, organized by cluster of excellence SimTech, University of Stuttgart, D
[Nov 2016] ”Understanding Many-Particle Systems with Machine Learning”, IPAM, UCLA, CA, USA
[Oct 2016] Workshop on ”AI for Scientific Progress: Bringing Digital Control to Physical Matter”, Foresight Institute, Palo Alto, CA, USA
[Sep 2016] Seminar for Yaron (Chemistry)/Widom (Physics)/Gordon (ML) groups, Carnegie Mellon University, Pittsburgh, PA, USA
[Sep 2016] ”Understanding Many-Particle Systems with Machine Learning: Machine Learning Meets Many-Particle Problems”, IPAM, UCLA, CA, USA
[Aug 2016] Theory and Applications of Computational Chemistry (TACC) conference, University of Washington, Seattle, WA, USA (cancelled)
[Aug 2016] International Summer School on Electronic Structure Theory and Materials Design, Technical University Denmark, DK (cancelled)
[Jul 2016] Workshop on “Many-Body Interactions: From Quantum Mechanics to Force Fields”, Telluride, Co, USA (cancelled)
[Jun 2016] Symposium on “Data-Driven Computational Chemistry”, 99th Canadian Society for Chemistry meeting, Halifax, NS, CA
[Mar 2016] Materials Research Society Spring Meeting, Phoenix, AZ, USA
[Mar 2016] Talk at Merck, Darmstadt, DE
[Feb 2016] Symposium “Computational Materials Discovery and Optimization: From 2D to Bulk Materials”, TMS-meeting, Nashville, TN, USA
[Feb 2016] Kolloquium speaker, Institut fuer Physikalische Chemie, Karlsruhe Institute of Technology, DE
[Jan 2016] GDCh Vortrag, University of Kiel, DE
[Dec 2015] CECAM workshop “Big Data of Materials Science from First Principles — Critical Next Steps”, Lausanne, CH
[Sep 2015] Psi-k conference, San Sebastian-Donostia, Spain
[Sep 2015] Annual User Meeting at Center of Nanophase Materials Science, Oak Ridge National Laboratory, TN, USA
[Jul 2015] Summer School of Max-Planck-EPFL Center for Molecular Nanoscience & Technology, Schloss Ringberg, DE
[Jul 2015] CECAM Workshop on “Next generation quantum based molecular dynamics: challenges and perspectives”, University of Bremen, D
[May 2015] Workshop on “Modeling Many-Body Interactions”, Garda lake, I (Cancelled)
[May 2015] CECAM workshop on “From Many-Body Hamiltonians to Machine Learning and Back”, Berlin, DE
[Mar 2015] APS-meeting, San Antonio, TX, USA (Cancelled)
[Feb 2015] Workshop on “Machine Learning for Many-Particle Systems”, Institute of Pure and Applied Mathematics, UCLA, USA
[Feb 2015] Session chair, CECAM/Psi-k Research Conference: Frontiers of first-principles simulations: materials design and discovery, Harnack Haus, Fritz-Haber Institute, Berlin, DE
[Feb 2015] Workshop on “Opportunities in Materials Informatics”, University of Wisconsin-Madison, USA
[Jan 2015] Theory seminar speaker, “Machine Learning Methods for the Sampling of Chemical Space from First Principles”, Scheffler Theory group, Fritz-Haber Institute, Berlin, DE
[Jan 2015] Seminar speaker, Chemistry Department, Free University of Brussels, BE
[Dec 2014] Workshop on “Machine Learning in materials”, Aalto University, Helsinki, FI
[Dec 2014] Soiree on “Machine Learning for Atomistic Simulation”, Thomas-Young-Centre, London, UK
[Oct 2014] Workshop on “Advancing Research through High-Performance Computing”, University of Pittsburgh, USA
[Oct 2014] WATOC 2014, Santiago de Chile, Chile
[Jul 2014] Seminar speaker, Chemistry Department, University of Madison, WI, USA
[Jun 2014] “Enhancing DoD Collaborations in Computational Materials Science and Engineering”, Dayton, OH, USA
[Jun 2014] Theory seminar speaker, Max-Planck Institute for Polymer Research, Mainz, DE
[Jan 2014] “Woodward lecturer”, Chemistry Department, Harvard University, Cambridge, MA, USA
[Jan 2014] Seminar speaker, Thiel group, Max-Planck Institute for Carbon Research, Muehlheim, DE
[Jun 2013] SIAM meeting, Philadelphia, USA
[Mar 2013] Hume-Rothery award session for Alex Zunger, TMS-meeting, San Antonio, Texas, USA
[Feb 2013] Seminar speaker, Marzari group, EPFL, Lausanne, CH
[Feb 2013] Swiss Association of Computational Chemists-meeting, University of Berne, Berne, CH
[Jan 2013] Brazilian Summer School of Molecular Modeling, Universidade Federal Do ABC, Brazil
[Nov 2012] Invited speaker at two symposia on “Materials Informatics” and “Advanced Multiscale Materials Simulation: First steps towards inverse materials computation”, MRS-meeting, Boston, Massachusetts, USA
[Aug 2012] Workshop on “Density-functional theory calculations for organic molecules with significant dispersion interactions”, organized by Army Research Office and University of Delaware, Delaware, USA
[Jul 2012] “ISSP and CMRS workshop” at symposium on computational materials science, Institute for Solid State Physics, University of Tokyo, JP
[Feb 2012] Theory seminar speaker, Scheffler Theory group, Fritz-Haber Institute, Berlin, DE
[Jan 2012] Seminar speaker, Reiher group, Chemistry Department, ETH Zurich, CH
[Oct 2011] Seminar speaker, Tamar Seideman group, Northwestern University, Chicago, USA
[Aug 2011] Seminar speaker, Chemistry Department, University of Bern, CH
[Aug 2011] “Designing Molecular Functionality: Challenges for Theoretical Approaches” at 47th Symposium on Theoretical Chemistry (STC 2011), CH
[Aug 2011] Seminar speaker, Machine Learning Group, Technical University Berlin, DE
[May 2011] “Physical Frameworks for Sampling Chemical Compound Space” workshop within long program on Navigating Chemical Compound Space for Materials and Bio Design at IPAM, UCLA, USA
[Dec 2010] Seminar speaker, “Fachbereichskolloquium”, Physics faculty, Frankfurt University, DE
[Nov 2010] “Materials Discovery by Scale-Bridging High-Throughput Experimentation and Modelling” at Interdisciplinary Centre for Advanced Materials Simulation and Materials Research Department, Bochum University, DE