|
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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, 17th Workshop of Dynamical
Phenomena at Surfaces (WDPS–17), Mailand/Italy, 09/2016 |
37 |
“What surface and material sciences can learn from bonding
analysis” Conference, 1st 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” 11th 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” 9th 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” 46th 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 |
Zuletzt aktualisiert:
27.02.2019
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Reuti
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