2022:
Combining Molecular Simulation with Machine Learning, invited speaker (online), NHR Atomistic Simulation Symposium, Paderborn, November 2022.
Thematic Einstein Forum - WS 2022/23 "Scales of Temporality", co-organizer, opening day in October 2022.
DiHMa.LAB "Digital Humanities meet mathematics", first workshop (MaRDI and ADA Lovelace center for digital humanities), FU Berlin, 20th - 21st September 2022, organizer.
Information desk: "MaRDI -- Research Data Infrastructure for mathematics", DMV congress, FU Berlin, September 2022.
2021:
MM/MD for the design of pharmaceutically active molecules, 3 invited lectures, Workshop on Theoretical Chemistry 2021, Mariapfarr, Switzerland, February 2021.
2020:
MATH+ Center Days, Project Presentation, MATH+, Berlin, Germany, November 2020.
2020 (accepted but postponed talks):
Multivalent Binding Kinetics as an Invariant Subspace Projection of Markov Processes, GAMM2020, Kassel, Germany, March 2020. CANCELED
The augmented embedded Markov chain: A sparse representation of nonautonomous Markov processes, GAMM2020, Kassel, Germany, March 2020. CANCELED
Analyzing Raman Spectral Data without Separabiliy Assumption, GAMM2020, Kassel, Germany, March 2020. CANCELED
2019:
Sparse Matrices in Molecular Simulation and in Physiological Models, invited talk, Sparse Days, Toulouse, France, July 2019.
2018:
Bewertungskonzepte für geklärtes Abwasser, invited talk and co-organization, DWA workshop, Koblenz, June 2018.
MSO4SC: an infrastructure for MSO frameworks and software, two invited minisymposia talks, ECMI 2018, Budapest, June 2018.
2017:
Medikamente aus dem Computer, invited minisymposium talk, HAI 2017, Berlin, September 2017.
Computer Aided Drug Design, invited minisymposium talk, EFIC 2017, Copenhagen, Denmark, September 2017.
Pain Relief by Mathematics, invited plenary talk, Digital Future, Science Match, Berlin, May 2017.
2016:
GenPCCA: Markov State Models for Non-Equilibrium Steady States, WIAS DANK2016, Berlin, November 2016.
Finite Markov Processes - Relation between Subsets and Invariant Spaces, invited speaker, 7th SON, Berlin, September 2016.
Clustering of time-dependent Markov Processes, minisymposium talk, 7ECM, Berlin, July 2016.
Beyond Spectral Clustering, co-organization of a minisymposium, 7ECM, Berlin, July 2016.
2015:
From Chaotic Liquids to Ordered Crystals - Too many Degrees of Freedom for Molecular Simulation? invited plenary speaker, COST-School Conference, Berlin, November 2015.
Certified by the Berlin Chamber of Physicians: Neue Medikamente aus dem Computer, Workshop "Schmerz - neue Entwicklungen in Grundlagenwissenschaft und Klinik ", invited speaker, HAI2015, Berlin, Germany, September 2015.
2014:
In-Silico Toxikologie, Workshop "Relevanz von Transformationsprodukten im urbanen Wasserkreislauf", co-organization and presentation, Koblenz, Germany, September 2014.
Analysis of Non-Reversible Markov Chains, ILAS 2014, organization of a minisymposium and presentation, Seoul, South Korea, August 2014.
2013:
Rebinding Effects and Negative Reaction Rates, MolKin 2013, co-organization and 3D presentation, Berlin, September 2013.
Improved molecular simulation strategies using matrix analysis, ILAS 2013, organization of a minisymposium and presentation, Providence, USA, June 2013. Link
2012:
Rebinding Events and Negative Reaction Rates, 2nd International Symposium "Multivalency in Chemistry and Biology", invited talk, Berlin, Germany, October 2012.
In-Silico Methods for Biomolecular Drug Design, ECMI 2012, minisymposium talk, Lund, Sweden, July 2012.
Compressive Sensing in Drug Discovery, SIAM Appl. Lin. Alg., invited minisymposium talk, Valencia, Spain, June 2012.
Biology -- too complex? "Deutsche Biotechnologietage 2012", invited talk, Frankfurt (Main), Germany, May 2012.
In-Silico-Toxikologie von Transformationsprodukten, DWA-Workshop "Relevanz von Transformationsprodukten im urbanen Wasserkreislauf", co-organizer, Koblenz, Germany, April 2012.
Simulation von Ligand-Rezeptor-Bindungsvorgängen - ist die Kinetik noch zu retten? Workshop "Produktionstechnik für zellfreie Biotechnologie", Fraunhofer-Institut IPK, Berlin, February 2012
2011:
No drugs! -- Does Computational Drug Design fail? IWR-Workshop, Heidelberg, December 2011
Towards the Mathematics of Bivalent Binding Processes. Molecular Modelling Workshop 2011, Heidelberg, October 2011
Computational Approximation of Transition Rates via an Infinitesimal Generator. Molecular Kinetics Workshop 2011, Invited Talk, Berlin, September 2011
New Mathematical Concepts for the Simulation of Molecular Binding Processes. ICIAM 2011, Thematic Minisymposium Talk, Vancouver, Canada, July 2011
Bridging Time Scales in Biological Sciences, organization of a minisymposium, EC of Mathematics and Theoretical Biology, Krakow, Poland, July 2011
Rare Diseases: Non-Equilibrium Simulations for Drug Design. MyoGrad Summer School 2011, Berlin-Buch, June 2011
2010:
Thermodynamical Aspects for the chemical design of spacers. Sfb-765 Symposium, Zeuthen, Germany, October 2010
Adaptive spectral clustering. GfKl-CLADAG 2010, invited first plenary talk, Firenze, Italy, September 2010
Adaptive spectral clustering. International GfKl-Conference 2010, invited plenary talk, Karlsruhe, Germany, July 2010
PCCA+ and spectral clustering in computational drug design. ILAS 2010, minisymposium talk, Pisa, Italy, June 2010
Computational Drug Design for rare deseases. MyoGrad Summer School 2010, Berlin-Buch, June 2010
Simulation of binding kinetics using a transfer operator approach. Workshop Contribution, Boston USA, May 2010
Kann Mathematik zur Reinheit der Gewässer beitragen? Host of the section meeting "Anthropogene Stoffe", Berlin, March 2010
Conformation dynamics based calculations on the entropies of multi-valent spacers, Sfb-765 workshop, 5min talk, Berlin, February 2010
Computersimulationen zum Verständnis molekularer Prozesse, invited speaker, Adlershofer Analytik Kolloquium, Berlin, January 2010
Potenziale einer in-silico-unterstützten Bewertung von HAMR, invited expert, Fachtagung des Umweltbundesamtes, Berlin, January 2010
2009:
Conformation dynamics based calculations of the entropies of multivalent spacers, Sfb-765, project presentation, Berlin, December 2009
In-Silico Toxikologie, invited talk, Workshop "Transformationsprodukte", Wasserchemische Gesellschaft and DWA, Koblenz, November 2009.
Spurenstoffe im Trinkwasser -- Risikoqualifizierung im Rechner?, invited presentation and discussion chair, WaBoLu Fortbildungstagung für Wasserfachleute, UBA Berlin, November 2009
Conformation Dynamics in Computational Drug Design, invited talk, Graduate School GRK 782, Georg-August University Göttingen, June 2009
Adaptive Methods in Conformation Dynamics II, invited talk, Molecular Kinetics 2009, Berlin, May 2009
Calculation of entropy differences for multivalent spacers using conformation dynamics, Sfb-765 workshop, 5min talk, Berlin, January 2009
Recent Progress in Conformation Dynamics, IMA workshop on chemical dynamics, Minneapolis, USA, invited talk, January 2009
2008:
Introduction into Spectral Clustering, AG-DANK, WIAS Berlin, December 2008, invited introductory talk
Preserving the Markov Property of Reduced Reversible Markov Chains, ICNAAM08, Kos, September 2008
Webinar: Mathematische Methoden im Drug Design, Bund der Pharmazeutischen Industrie (BPI), invited talk, bpi.CME24.de, May 2008
Conformation Dynamics Simulation of Opioids, Deutsches Rheumaforschungszentrum, pain seminar, invited talk, Berlin, February 2008.
2007:
Computational Drug Design, exhibition BioTechnica, Hannover, October 2007
Dimension Reduction of Markov Chains and PCCA+, "IMPRS Colloquia in Computational Biology and Scientific Computing", invited talk, Max Planck Institute for Molecular Genetics, Berlin, March 2007
Modelling Principles in Conformation Dynamics, Workshop "Modelling in Life Sciences", Matheon-ICM, Warschau, January 2007
2006:
Well-conditioned Computation of Probability Densities for Metastable Conformations, Workshop "Methods for Molecular Simulation", Heidelberg, September 2006
Robust Perron Cluster Analysis in Conformation Dynamics, Invited Symposium Talk, GAMM-SIAM-Conference in Düsseldorf, July 2006
2005:
Robust Perron Cluster Analysis for Various Applications in Computational Life Sciences, CompLife05 Conference, Konstanz, September 2005
Meshfree Methods in Conformation Dynamics, SciCADE05 Nagoya, Japan, May 2005
Indicator for the Number of Clusters Using a Linear Map to Simplex Structure, GfKl-Conference, Magdeburg, March 2005
2004:
Robust Perron Cluster Analysis in Conformation Dynamics AM3, Algorithms for Macromolecular Modelling, Leicester, 2004