Talks - Philipps-Universität Marburg - Fb. 15

Invited Talks

61	“Ab initio modelling of CVD chemistry” (preliminary titel) Conference, MRS Fall meeting, Boston (USA) 12/2019 (invitation accepted)
60	“Organic chemistry at surfaces – from numbers to insight” Konferenz, Jaipur (India), 01/2019 (Bansal)
59	“Concepts for functional materials from computational chemistry” Seminar, MPI für Kohlenforschung Mülheim, 11/2018 (Neese)
58	“Concepts for functional materials from computational chemistry” Seminar, FHI Berlin, 10/2018 (Scheffler)
57	“From precursor design to growth mechanisms – impact and prospects of ab initio modelling in atomic scale processing” Workshop on Semiconductor Surface Chemistry, Konferenz, HERALD Summit, Braga (Portugal), 09/2018 (Plenary talk)
56	“More than dimers – the impact of strain on surface reactivity at silicon” Workshop on Semiconductor Surface Chemistry, 2nd European Symposium on Chemical Bonding, Oviedo (Spain), 09/2018
55	“(In)organic surface functionalization in silico – from concepts to interfaces” Workshop on Semiconductor Surface Chemistry, Telluride (USA), 07/2018
54	“Organic chemistry at surfaces – from numbers to insight” Seminar, OC und Center for Multiscale Theory and Computation, Münster, 06/2018 (Neugebauer, Fest-Colloquium on the occasion of the 70th birthday of Prof. E.-U. Würthwein)
53	“Computational chemistry for functional materials” Seminar, Institut für Physikalische Chemie, Gießen, 06/2018 (Mollenhauer)
52	“Concepts for functional materials from computational chemistry” Seminar, FU Berlin, 06/2018 (Paulus, Tremblay)
51	“Concepts for functional materials from computational chemistry” Seminar, Graz (Austria), 05/2018 (Boese)
50	“Hybrid interfaces via organic chemistry on semiconductors” ACS Spring Conference (Bent Symposium), New Orleans (USA), 03/2018
49	“Computational chemistry for functional materials” Seminar, Institut für Physikalische Chemie, Würzburg, 07/2017 (Engel, Mitric, Engels)
48	“Surface chemistry for organic-inorganic interfaces – a quantum chemical perspective” Konferenz, 2nd Sino-German Young Scientist Symposium on Structures & Dynamics at Surfaces, Göttingen, 05/2017
47	“Concepts for functional materials from computational chemistry” Seminar, EPFL Lausanne/Switzerland, 05/2017 (Corminboeuf)
46	“Organic functionalization of semiconductors – concepts from computational chemistry” Seminar, Institut für Theoretische Chemie, Universität Ulm, 05/2017 (Korth, Groß)
45	“Funktionsmaterialien verstehen mit molekülchemischen Konzepten – eine quantenmechanische Perspektive” GDCh-Kolloquium, Naturwissenschaftliche Fakultät, Düsseldorf, 02/2017
44	“Computational chemistry for functional materials” Seminar, Max-Planck-Institute for Solid State Research, Stuttgart, 01/2017 (Grüneis, Alaavi)
43	“Concepts for functional materials from computational chemistry” Seminar, Institut für Physikalische Chemie, Karlsruhe, 12/2016 (Klopper)
42	“Organic functionalization of semiconductors – concepts from computational chemistry” Seminar, Institut für Theoretische Chemie, Stuttgart, 11/2016 (Köhn, Werner, Rauhut, Kästner)
41	“Molekülchemische Konzepte für Funktionsmaterialien über das Verständnis elektronischer Struktur” GDCh-Kolloquium, Fachbereich Chemie, Marburg, 11/2016 (Inaugural lecture as Privatdozent)
40	“Why care about electrons? A view from the other side of the Born-Oppenheimer approximation” Seminar, Fachbereich Pharmazie, Marburg, 11/2016 (Peter Kolb)
39	„Concepts for functional materials from computational chemistry” Konferenz, 52. Symposium Theoretical Chemistry (STC), Bochum, 09/2016 (Laureate lecture)
38	“Surface chemistry for organic–inorganic interfaces – a quantum chemical perspective” Workshop, 17^th Workshop of Dynamical Phenomena at Surfaces (WDPS–17), Mailand/Italy, 09/2016
37	“What surface and material sciences can learn from bonding analysis” Conference, 1^st European Symposium on Chemical Bonding (ESCB–1) Rouen/France, 08/2016 (Plenary talk)
36	“Ab initio modelling of elementary steps in chemical vapor deposition – gas phase, surface and interfaces” seminar, Dpt. of Chemical Engineering, Stanford University (USA), 07/2016 (Stacey Bent).
35	“Discovering molecular chemistry concepts in functional materials” Conference, International Conference on Chemical Bonding (ICCB 2016), Lihue (USA), 07/2016.
34	“Ab initio modelling of semiconductor epitaxy processes &nash; gas phase, surface and interfaces” Konferenz, International Conference on Computational and Mathematical Methods in Science and Engineering (CMMSE 2016), Cadiz (Spain), 07/2016
33	“Energy–based bonding analysis for surface and material sciences” seminar, Université Pierre et Marie Curie, Paris (Benoit Braida), 06/2016.
32	“Functionalization of surfaces and interfaces – ab initio computations and electronic structure analysis” Physikalisch-chemisches Kolloquium, Universität Göttingen, 01/2016 (Alec Wodtke)
31	“In silico functionalization – from precursor chemistry to surface reactions with quantum chemical methods” (Research), “Bonding analysis” (Teaching) Workshop “Chemical Contributions to Semiconductor Development”, Hofheim/Unterfranken, 10/2015
30	“OMVPE from first principles – realistic quantum-chemical models for growth and properties” Conference, US OMVPE, Big Sky/Montana (USA), 08/2015
29	“Functionalization of surfaces and interfaces – ab initio computations and electronic structure analysis” SUNCAT seminar, Dpt. of Chemical Engineering, Stanford University (USA), 07/2015
28	“Growth and Interfaces of GaP on silicon – Experiment and theory joining forces” Workshop, Material Sciences Day, Marburg, 07/2015
27	“Energy-based chemical bond analysis across dimensions – from transition metal complexes to surface-adsorbate bonding” Inorganic and Physical Chemistry Seminar, Warwick/UK, 06/2015
26	“Bonding analysis methods for surfaces and solids – basics and research applications” Workshop, Bonding Analysis, Marburg, 05/2015
25	“Thermodynamic and kinetic measures of internal interface building blocks” Workshop, SFB 1083, Marburg, 12/2014
24	“Studying Semiconductor Growth Characteristics with Realistic Quantum-Chemical Models” Workshop, WZMW, Marburg, 12/2014
23	“GaP/Si: Studying Semiconductor Growth Characteristics with Realistic Quantum-Chemical Models” Workshop, Höchstleistungsrechenzentrum Stuttgart, Stuttgart, 09/2014
22	“Surface Science from a Computational Chemist’s Perspective: From Chemical Bonding to Thin-Film Growth” Industrie-Vortrag, BASF AG, Ludwigshafen, 09/2014
21	“The chemical bond in periodic systems – an energy-based method for surface-adsorbate complexes” Conference, International Conference on Chemical Bonding (ICCB), Lihue (USA), 07/2014
20	“Chemical Bonding and Reactivity on Silicon Surfaces by Dispersion-corrected DFT methods” seminar, Dpt. of Chemical Engineering, Stanford University (USA), 07/2014 (Stacey Bent)
19	“Insight into chemical bonding from partitioning of the bond energy – from 0D to 3D” conference, International Conference on Computational and Mathematical Methods in Science and Engineering (CMMSE 2014), Rota (Spain), 07/2014
18	“Chemical bonding and reactivity on silicon surfaces by dispersion-corrected DFT methods” seminar, L’Université de Lyon (France), 12/2013
17	“Growth of III/V-Materials on Silicon Surfaces – Insights from DFT-Based Modeling” conference, Advanced Materials and Nanotechnolog (AMN-6), Auckland, New Zealand, 02/2013
16	“Computational Surface Chemistry – Adsorption and thin-film growth on silicon surfaces with density functional methods” seminar, MacDiarmid Institute for Advanced Materials and Nanotechnology, Auckland, New Zealand, 02/2013
15	“Surfaces and Solids – spectroscopy, adsorption and chemical bonding with density functional methods for organic and inorganic semiconductors” seminar, School of Chemical and Physical Sciences, Victoria University Wellington, New Zealand, 02/2013
14	“Adsorption on semiconductor surfaces – dispersion-corrected DFT results” seminar, Center for Theoretical Chemistry and Physics, Massey University, Auckland, New Zealand, 02/2013
13	“Quantum-chemical studies of organic molecular crystals – structure and spectroscopy” conference, International Conference on Computational and Mathematical Methods in Science and Engineering (CMMSE 2012), La Manga, Spanien, 07/2012
12	“Growth of III/V-materials on silicon surfaces – insights from DFT-based modeling” Chemisches Kolloquium, Universität Frankfurt, 06/2012 (Max Holthausen)
11	“Surfaces and Solids – adsorption, spectroscopy and chemical bonding with dispersion-corrected periodic DFT methods for semiconductors and molecular crystals” seminar Theoretische Chemie, Universität Erlangen-Nürnberg, 06/2012 (Bernd Meyer)
10	“Surfaces and solids - adsorption studies and spectroscopy at metals, semiconductors and molecular crystals with dispersion- corrected periodic DFT methods” seminar Theoretische Chemie, Universität Potsdam, 03/2012 (Peter Saalfrank)
9	“Surfaces and solids – adsorption studies and spectroscopy at metals, semiconductors and molecular crystals with periodic DFT methods” Physikalisch-chemisches Kolloquium, TU Darmstadt, 01/2012 (Robert Berger)
8	“Surfaces and solids – adsorption studies and spectroscopy at metals, semiconductors and molecular crystals with periodic DFT methods” Physikalisch-chemisches Kolloquium, Universität Tübingen, 12/2011 (Reinhold Fink)
7	“Molekülkristalle mit periodischen DFT-Methoden” Physikalisch-chemisches Kolloquium, Universität Göttingen, 11/2011 (Martin Suhm)
6	“Energy Decomposition Analysis for Periodic Systems” seminar, SCM and Theorie-Gruppen, Frije Universiteit Amsterdam, 10/2011
5	“Atomic and Electronic Structure of Surfaces and Molecular Crystals - Insights from DFT” seminar, TU München, Prof. Karsten Reuter, 10/2011
4	“Adsorption of amino acids on the TiO₂(110) surface” conference, MACC-4, Lviv, Ukraine, 06/2011–07/2011
3	“Enantiopurification via sublimation – DFT results for a lactic acid derivative” seminar, FU Berlin, Prof. Beate Paulus, 01/2011
2	“Theoretische Methoden der Oberflächenchemie” seminar, Philipps-Universität Marburg, Ring-Vorlesung der Fachbereiche Chemie, Physik und der Materialwissenschaften, 11/2010
1	“Adsorption of proline and glycine on the TiO₂(110) surface - a DFT study” seminar, Ruhr-Universität Bochum, Lehrstuhl AC II - Prof. Roland Fischer, 07/2010

Conference Contributions (talks only)

14	“Explaining organic chemistry at surfaces with energy decomposition analysis” 11^th Triennial congress of the World Association of Theoretical and Computational Chemists (WATOC) 2017, Munich, 08/2017
13	“Old mechanism in odd setting – β-H elimination reactions in thin-film deposition” Chemiedozententagung, Marburg, 03/2017
12	“Chemical bonding concepts for surface and material sciences” Chemiedozententagung, Universität Heidelberg, 03/2016
11	“Explaining unusual reactivity in extended systems with energy-based analyses” Konferenz, 51. Symposium Theoretische Chemie, Potsdam, 09/20154
10	“Adsorption at semiconductor surfaces – an energy analysis method” DPG-Tagung (Spring Meeting + Condensed Matter Section), Dresden, 03/2014
9	“Adsorption at semiconductor surfaces: Quantifying contributions to the chemical bond” Conference, 49. Symposium Theoretische Chemie, Erlangen, 09/2013
8	“Density-functional study of alkyne adsorption on Si(001) and comparison to STM results” Physics Boat Workshop, Helsinki, Finnland, 06/2013
7	“Adsorption of amino acids on the TiO₂(110) surface” DPG-Tagung (Spring Meeting + Condensed Matter Section), Berlin, 03/2012
6	“Vibrational properties of organic thin films from theory and experiment” Modeling of Molecular Properties, Heidelberg, 10/2011
5	“Vibrational properties of organic thin films from theory and experiment” 9^th Triennial congress of the World Association of Theoretical and Computational Chemists (WATOC) 2011, Santiago de Compostela/Spanien, 07/2011
4	“Adsorption of proline and glycine on the TiO₂(110) surface – a DFT study” 46^th Symposium Theoretical Chemistry, Münster, 09/2010
3	“Adsorption of proline and glycine on the TiO₂(110) surface – a DFT study” AMN-4 Conference, University of Otago, Dunedin, New Zealand, 02/2009
2	“Adsorption of proline and glycine on the TiO₂(110) surface – a DFT study” IC08 Conference, University of Canterbury, Christchurch, New Zealand, 12/2008
1	“Are carbodiphoshoranes better ligands than N-heterocyclic carbenes for Grubbs’ catalysts?” Hood Fellow Symposium, University of Auckland, Auckland, New Zealand, 04/2008