Presentations

Invited Talks

DateVenueTitle
06-27-2017CECAM Workshop "Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes", Albi, FranceElectronic friction in chemical dynamics at metal surfaces
06-08-2017CECAM Workshop Interface Morphology Prediction with
Robust and Efficient Structure Search (IMPRESS), Aalto University, Finland
Collective Curvilinear Coordinates in Interface Structure and Function Prediction
03-21-2017DPG Spring Meeting of the Condensed Matter Section (SKM), Dresden, GermanyThe role of nonadiabatic friction in chemical dynamics at metal surfaces
02-09-2017Pittsburgh Quantum Institute, Pittsburgh, PennsylvaniaAb-initio insights into stimulated surface chemistry
01-18-2017Connecticut Valley Quantum Chemistry (CVQC)Seminar, Yale Energy Sciences Institute, New Haven, ConnecticutElectronic Friction in Chemical Dynamics at Metal Surfaces
11-29-2016School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GeorgiaSelf-assembly, switching, and catalysis: ab-initio insights into stimulated chemistry on surfaces
10-19-2016Department of Chemistry and Biochemistry, University of California at Los Angeles, CaliforniaControlled self-assembly, switching, and catalysis: ab-initio insights into stimulated surface chemistry
09-28-2016Machine Learning Meets Many-Particle Problems, Institute of Pure and Applied Mathematics at UCLA, Los Angeles, California Collective curvilinear coordinates in materials structure search and beyond
07-22-2016FHI-aims Developers' and Users' Meeting, Munich, Germany Tensorial Electronic Friction and Nonadiabatic Dynamics in FHI-aims
03-22-2016Institute of Physics of the Czech Academy of Sciences, Prague, Czech RepublicStructure and Dynamics of Functional Molecules on Surfaces
03-01 -2016Institut für Physikalische Chemie, University of Göttingen, GermanyLight and Electron Driven Reactions of Molecules on Surfaces
02-25-2016Physics and Materials Science Research Unit, University of Luxembourg, LuxembourgStructure and Dynamics of Functional Molecules on Surfaces
02-03-2016Department of Chemistry, University of Colorado at Boulder (CO), USAStructure and Dynamics of Functional Molecules on Surfaces
10-19-2015 European Conference on Surface Crystallography and Dynamics (ECSCD-12), Trieste, Italy Finite-Temperature Effects on Structure and Energetics: Organic Adsorbates from a
First-Principles Perspective
08-13-2015Gordon Research Conference (GRC), Dynamics at Surfaces, Newport (RI), USA Ab-Initio Dynamics of Large Functional Molecules on Metal Surfaces
05-29-2015MMBI 2015 Workshop, Castelleto di Brenzone, ItalyMany-Body Interactions in Dynamics of Molecules on Surfaces
07-08-2014SuperMUC Status and Results Workshop, Leibnitz-Rechenzentrum, GermanyEfficient ab-initio approaches towards the photochemistry of functional molecules on metal surfaces
01-29-2014Saalfrank group seminar, U Potsdam, GermanyFirst principles mechanistic insight into molecular switching at metal surfaces
08-27-2013Central European Symposium on Theoretical Chemistry, Znojmo CESTC 2013, Czech RepublicFirst-principles mechanistic insight into molecular switching at metal surfaces: Azobenzenes on Ag(111) and Au(111)
02-08-2013Lackinger group seminar, TU Munich, GermanyA first-principles description of metal-surface adsorbed isomerization dynamics - Azobenzene on coinage metal surfaces
01-18-2013Weinelt group seminar, Free University Berlin, GermanyA first-principles description of metal-surface adsorbed isomerization dynamics - Azobenzene on coinage metal surfaces
05-04-2012Tegeder group seminar, Free University Berlin, GermanyThermally induced switching of azobenzene on coinage metal surfaces? Bistability loss and balanced functionalization

Contributed Talks

DateVenueTitle
09-12-2017Recent Appointees in Material Science Conference (RAMS2017), University of Exeter, UKComputational design of hybrid organic-inorganic functional interfaces: From single-molecule control to self-assembly
03-03-2015APS March meeting, San Antonio, USAMind the Entropy: Electronic and Thermal Fluctuations of Large Molecules on Metals
01-28-2015Winter Workshop Rudolfshütte 2015, Uttendorf, AustriaTerm-by-Term Construction of Ab Initio Many-Body Potentials for Dynamics on Surfaces: Hydrogen on Pd(100)
03-31-2014DPG Spring Meeting of the Condensed Matter Section (SKM), Dresden, GermanyMolecular Switching of Azobenzene: Towards design strategies for functioning molecular switches
09-23-2013International Symposium on Theoretical Chemical Physics, ISTCP, Budapest, HungaryTowards a mechanistic understanding of photoinduced (non-)switching of metal surface adsorbed Azobenzenes
03-15-2013DPG Spring Meeting of the Condensed Matter Section (SKM), Regensburg, GermanyComputationally efficient excited states of hybrid organic/inorganic systems: dynamics and spectroscopy with Delta-Self-Consistent-Field Density-Functional Theory (DeltaSCF-DFT)
09-06-201229th European Conference on Surface Science (ECOSS), Edinburgh, United KingdomLost Bistability: How surface adsorption can prevent molecular switching at metal surfaces
03-28-2012DPG Spring Meeting of the Condensed Matter Section (SKM), Berlin, GermanyThermally induced switching of azobenzene at coinage metal surfaces? Bistability loss and balanced functionalization
03-15-2011DPG Spring Meeting of the Condensed Matter Section (SKM), Dresden, GermanyTowards Isomerization Dynamics of Adsorbed Molecular Switches: A DeltaSCF Density-Functional Theory Study
06-01-201010th International Conference on Computational Science (ICCS), Amsterdam, The NetherlandsMolecular dynamics of cellulose crystal surfaces with ChemShell
02-19-2010Workshop on Theoretical Chemistry, Mariapfarr, AustriaSolvation of single walled carbon nanotubes in aromatics as predicted by density-functional tight binding

Poster Presentations

DateVenueTitle
07-30-2017Gordon Research Seminar (GRC) Dynamics at Surfaces 2017, Newport, RI, USAElectronic Friction Effects in Dissociative Chemisorption on Metal Surfaces
08-09-2015Gordon Research Seminar (GRS) Dynamics at Surfaces 2015, Newport, RI, USANonadiabatic Coupling in Dynamics of Molecules on Metal Surfaces
05-19-2014563rd WE-Heraeus-Seminar: Functional Molecules at Surfaces, Bad Honnef, GermanyAb-initio molecular device design: From electronic structure to optimal decoupling strategies
09-09-201315th International Conference on Density Functional Theory and its Applications, DFT, Durham, United KingdomAn efficient static DFT approach to excited states of large organic adsorbates: Azobenzenes on coinage metals
05-13-2013Workshop "Controlled Atomic Dynamics on Solid Surfaces: Atom and Molecular Manipulation", San Sebastian, SpainA first-principles description of metal-surface mounted molecular switching: Azobenzenes on coinage metals
01-13-2013XV International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, ItalyDeltaSCF-DFT: An efficient alternative for dynamics and spectroscopy of adsorbed molecular switches?!
01-03-20125th International Workshop and Summer School on Time-Dependent Density-Functional Theory: Prospects and Applications, Benasque, SpainLinear expansion DeltaSCF-DFT: An efficient alternative for isomerization dynamics of adsorbed molecular switches
06-01-2011International Workshop on Elementary Processes in Solids and at Interfaces, Kloster Banz, GermanyTowards the Isomerization Dynamics of Adsorbed Molecular Switches: A DeltaSCF Density-Functional Theory Study
09-30-2010Symposium on Theoretical Chemistry (STC), Münster, GermanySurface reorganisation and wetting of crystalline cellulose I and II
07-27-2010CCP5 Methods in Molecular Simulation Summer School, Belfast, United KingdomMatching force field energetics and dynamics to density functional tight binding results for carbon nanotube solvation
03-02-2010International Symposium on Theoretical and Computational Chemistry, Mühlheim an der Ruhr, GermanySolvation process of single walled carbon nanotubes in aniline
09-28-2009Central European Symposium on Theoretical Chemistry (CESTC), Dobogokö, HungarySolvation process of single walled carbon nanotubes in aniline