Upcoming
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Conferences
Multiscale Modelling and Design of Functional Organic Materials (invited lecture), Conference on Hybrid Modelling of (Bio)-Molecular Multiscale Phenomena, Zagreb, Croatia, 2024.
Molecular Adsorption on Graphene-Based Materials (invited lecture), Materials Research Society (MRS) Fall Meeting, Boston, USA, 2024. |
Lectures & seminars
TBA (invited talk), Loughborough University, UK, 2025.
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Past
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Conferences
17. New Approaches to Chemical Design Through Machine Learning (invited lecture), Symposium of the Center for Multiscale Theory and Computation (CMTC), Münster, Germany, 2024.
16. Accelerating Molecular Discovery (invited academic expert), Global Conference on AI in Chemical Weapons Convention Implementation, Rabat, Morocco, 2024. 15. Redox and Adsorbent Properties of Graphene-Based Materials from First Principles (invited lecture), SENSE Workshop “Challenges in Chemical Sensing with Graphene Derivatives and 2D Materials”, San Sebastian, Spain, 2024. 14. New Techniques for Quantum Machine Learning and Rational Chemical Design (invited lecture), 60th Symposium on Theoretical Chemistry (STC), Braunschweig, Germany, 2024. 13. Machine Learning the External Potential (invited lecture), 20th Conference “Density Functional Theory and Its Applications” (DFT 2024), Paris, France, 2024. 12. Exploring Chemical Space with New Machine Learning Representations and Dimensionality Reduction (invited lecture “Emerging Talent”), Gordon Research Conference “GRC CompChem: Advancing Chemical Discovery Through Theory, Simulation, and Data Science”, Dover, USA, 2024. 11. Property Patterns in N-Heteropolycycles from Chemical Intuition and Machine Learning (invited lecture), 3rd International Conference on Excited State Aromaticity and Antiaromaticity, Dubrovnik, Croatia, 2024. 10. New Representations for Chemical Machine-Learning (invited lecture), European Conference on Computational and Theoretical Chemistry (EuChemS CompChem 2023), Thessaloniki, Greece, 2023. 9. New Representations for Chemical Machine-Learning (invited co-lecture), CECAM-Psi-k Research Conference “Bridging Length Scales with Machine Learning: From Wavefunctions to Thermodynamics”, Berlin, Germany, 2023. 8. Breaking Down the Structures and Building Up the Properties in Functional Organic Materials (invited lecture), Aslla Symposium “Accelerate Chemical Science using AI”, Gangneung, Korea, 2022. 7. Noncovalent Interactions in Functional Organic Materials (invited communication), 2nd International Conference on Noncovalent Interactions (ICNI), Strasbourg, France, 2022. 6. Application-Oriented Chemistry of Functional Organic Materials (invited lecture), 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2020), Vancouver, Canada, 2022. 5. Structural and Reactivity Patterns in N-Heteropolycyclic Radicals (invited lecture), 2nd Symposium “Materials for Organic Electronics: Synthesis, Spectroscopy and Theory”, Heidelberg, Germany, 2022. 4. Quantification of Fuzzy Chemical Concepts (invited lecture), Interdisciplinary Symposium: Chemical Concepts and Quantum Chemistry, Heidelberg, Germany, 2019. 3. Topology-Driven Molecular Electronics Lacking π-Conjugation (invited communication), 9th Conference of the Asia-Pacific Association of Theoretical and Computational Chemists, Sydney, Australia, 2019. 2. Topology-Driven Molecular Electronics Lacking π-Conjugation (invited lecture), 15th European Conference on Molecular Electronics, Linköping, Sweden, 2019. 1. Conceptual Chemistry of Functional Materials (invited lecture), Computational Materials Science Symposium, Heidelberg Institute for Theoretical Studies, Heidelberg, Germany, 2018. |
Lectures & seminars
20. New Techniques for Quantum Machine Learning and Rational Chemical Design (online), Capita Selecta in Computational Chemistry, Vrije Universiteit Brussel, Belgium, 2024.
19. Exploring Chemical Space with Machine Learning, School of Chemistry Seminar Series, University of Birmingham, UK, 2024. 18. Exploring Chemical Space with Machine Learning, AI @ HITS Symposium, Heidelberg, Germany, 2024 (watch on Youtube). 17. Exploring Chemical Space with Machine Learning, Seminar Series “AI in chemistry and beyond: Trends in the field”, Ecole Polytechnique federale de Lausanne, Lausanne, Switzerland, 2023. 16. Exploring Chemical Space with Machine Learning, Interdisciplinary Seminar Series, TU Braunschweig, Braunschweig, Germany, 2023. 15. Engineering Organic Frameworks for Molecular Storage, Mulliken Center for Theoretical Chemistry, University of Bonn, Bonn, Germany, 2023. 14. Engineering Organic Frameworks for Molecular Storage, Flagship Initiative “Engineering Molecular Systems, Heidelberg University, Germany, 2023. 13. Non-Covalent Interactions in Framework Materials, Institute of Organic and Macromolecular Chemistry, Heinrich-Heine-University Düsseldorf, Düsseldorf, Germany, 2022. 12. Computational Chemistry and Machine Learning of Functional Organic Materials (online), Warwick Centre for Predictive Modelling, University of Warwick, UK, 2022. 11. Computational Carbon Chemistry (online), Lieseberg Colloquium, Heidelberg University, Germany, 2021. 10. Crossing Electronic Bridges: Computational Chemistry of Molecular Junctions (online), (Bio)Molecular Electronics Colloquia, University of Liverpool, UK, 2020. 9. Happy Together: How Computational Chemistry Can Advance Functional Materials, Centre for Advanced Materials, Heidelberg University, Heidelberg, Germany, 2020. 8. Crossing Electronic Bridges: Computational Chemistry of Molecular Junctions, Research School of Chemistry, Australian National University, Canberra, Australia, 2019. 7. Crossing Electronic Bridges: Computational Chemistry of Molecular Junctions, Monash University, Melbourne, Australia, 2019. 6. Crossing Electronic Bridges: Computational Chemistry of Molecular Junctions, Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, Heidelberg, Germany, 2019. 5. Conceptual Chemistry of Functional Materials, Okinawa Institute of Science and Technology, Okinawa, Japan, 2019. 4. Manipulating Energy through Space in Molecules and Materials, Laboratory of Physical Chemistry (LCP), Université Paris-Sud, Paris, France, 2018. 3. Modern Computational Chemistry: What? Who? And How? Lecture series at the Department of Chemistry, Dnipropetrovsk National University, Dnipro, Ukraine, 2016. 2. Nitroxides: From Polymer Stabilisation to Electrostatic Switching, BASF Schweiz AG, Basel, Switzerland, 2016. 1. Free the Radical: Computational Chemistry as a Tool to Understand and Manipulate the Reactivity of Free Radicals, Bio21 Molecular Science and Biology Institute / The University of Melbourne seminar series, Melbourne, VIC, Australia, 2014. |
Co-organised by Anya
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