Talks
‘I much prefer the sharpest criticism of a single intelligent …’
Johannes Kepler
Upcoming
43.
“TBA”
ACS Organic Division Reaction Mechanism Conference 2024
June 23 to 26, 2024 I Albuquerque, New Mexiko, USA (invited)
42.
“TBA”
Chemistry@Sete: Challenges in Computational Homogeneous Catalysis
June 3 to 6, 2024 I Sete, France (invited)
Past
41.
“Towards Predictive and Operando Computational Catalysis – Recent Advancements for Transition-Metal Chemistry”
Computational Catalysis Symposium, University of Oslo
January 25, 2024 I Cambridge, Norway (invited)
40.
“Modelling Solution Chemistry”
Lennard-Jones Centre Discussion Group, University of Oxford
November 6, 2023 I Cambridge, UK, virtual (invited)
39.
“Catalysis in Confinement: Reaction Mechanism of C-X Coupling with a Cu-calix[8]arene Catalyst”
6th Quantum Bio-Inorganic Chemistry Conference
August 28 to September 1, 2023 I Warsaw, Poland (invited)
38.
“Reaction dynamics of C-N coupling mediated by a supramolecular Cu(I)/calix[8]arene catalyst”
ACS Fall, Symposium in the Honor of the 80th Birthday of Prof. Kendall N. Houk
August 13 to 17, 2023 I San Francisco, USA (invited)
37.
“Towards Operando Modelling in Supramolecular Catalysis: Assessing the Reaction Dynamics of Cu-calix[8]arene for C-X coupling by QM/MM MD”
EuChemS Division of Organic Chemistry Young Investigator Workshop 2023
July 7 to 8, 2023 I Leuven, Belgium nominated by the Austrian Chemical Society GÖCH (invited)
36.
“An Automated Approach to Quantum Chemical Microsolvation”
Intermolecular Interactions and Properties of Gases, Liquids and Solids (ICQC Satellite Meeting)
July 3 to 5, 2023 I Graz, Austria (contributed)
35.
“Improving the Modelling of Reaction Mechanisms Towards Predictive and Operando Computational Chemistry”
Invited seminar Biontech, Munich
June 12, 2023 I Munich, Germany (invited)
34.
“Building Better Models To Improve the Accuracy of Computational Catalysis beyond Electronic Structure Theory”
36th Workshop on Novel Materials and Superconductors
February 5 to 10, 2023 I Schladming, Austria (invited)
33.
“Building Better Models to Improve the Accuracy of Computational Catalysis beyond Electronic Structure Theory”
GDCh Seminar, TU Chemnitz
January 19, 2023 I Chemnitz, Germany (invited)
32.
“Building Better Models To Improve the Accuracy of Computational Catalysis beyond Electronic Structure Theory”
Research Training Group 2455 BENCh Colloquium, Georg-August-University Göttingen
December 6, 2022 I Göttingen, Germany (invited)
32.
“Building Better Models To Improve the Accuracy of Computational Catalysis beyond Electronic Structure Theory”
Institute’s Colloquium, TU Braunschweig
November 23, 2022 I Braunschweig, Germany (invited)
31.
“Building better models for computational catalysis: improving accuracy beyond electronic structure theory”
Predictive Science Network at AstraZeneca
October 19, 2022 I Mölndal, Sweden (virtual invited)
30.
“Building Better Models to Uncover The Reaction Dynamics of A Supramolecular
Cu-calix[8]arene Catalyst with QM/MM MD”
58th Symposium on Theoretical Chemistry
September 18 to 22, 2022 I Heidelberg, Germany
29.
“Predicting Reactivity and Selectivity in Complex Systems – Improving Accuracy Beyond Electronic Structure Theory”
18th Central European Symposium on Theoretical Chemistry
September 7 to 10, 2022 I Balatonszásrzó, Hungary (invited)
28.
“Predicting Reactivity and Selectivity in Complex Systems – Improving Accuracy Beyond Electronic Structure Theory”
Theoretical Chemistry Seminar RWTH Aachen
August 10, 2022 I Aachen, Germany (invited)
27.
“Conformational sampling of transition-metal catalysts – no one fits all”
12th Triennial Congress of the World Association of Theoretical and Computational Chemists
July 3 – 8, 2022 I Vancouver, Canada (invited communication)
26.
“Computational Chemistry for the Prediction of Reactivity and Selectivity in Catalysts and other Complex Systems”
Seminar Talk, Institute of Applied Synthetic Chemistry
December 9, 2021 I Vienna, Austria (invited)
25.
“Predicting Reactivity and Selectivity – Towards In-Silico Design of Catalysts”
Doctorate School Chemistry Student Retreat University of Vienna
November 17 to 19, 2021 I Stift Seitenstetten, Austria (invited)
24.
“Predicting Reactivity and Selectivity – Towards In-Silico Design of Catalysts”
FemChem Scientific Workshop
September 20, 2021 I Vienna, Austria (invited)
23.
“Towards Predictive Chemistry by Multiscale Modelling”
Hearing for an assistant professorship position, TU Wien
March 15, 2021 I online via Zoom (invited)
22.
“Modelling Chemical and Physical Properties of Complex Systems”
Hearing for an assistant professorship position, TU Graz
January 15, 2021 I online via Webex (invited)
21.
“Modelling Chemical and Physical Properties of Complex Systems”
Seminar of the Physical-Chemical Society (CPG), TU Wien
January 12, 2021 I online via Zoom (invited)
20.
“Unravelling Reaction Mechanisms and Reactivity of Complex Systems by Computational Chemistry”
Institute seminar, Karl-Franzens University Graz
November 20, 2020 I online via Zoom (invited)
19.
“Unravelling Reaction Mechanisms and Reactivity by Quantum Chemistry”
8th Carnival Conference Session 2020
February 18 to 20, 2020 I Cologne, Germany (invited)
18.
“Understanding Complex Molecular Systems by Multiscale Modelling”
Hearing for an assistant professorship position, Radboud University Nijmegen
January 7, 2020 I Nijmegen, The Netherlands (invited)
17.
“Towards Predictive Catalysis by Multiscale Modelling”
Hearing for an assistant professorship position, Universiteit van Amsterdam
December 17, 2019 I Amsterdam, The Netherlands (invited)
16.
“Arzneimittelforschung mit Hilfe der Computerchemie”
Hearing for an assistant professorship position, Institute of Pharmaceutical Chemistry, University of Innsbruck
November 8, 2019 I Innsbruck, Austria (invited)
15.
“Multiscale Modelling in Computational Catalysis”
Hearing for an assistant professorship position, Institute of Ionphysics and Applied Physics, University of Innsbruck
September 16, 2019 I Innsbruck, Austria (invited)
14.
“The Mechanism of Olefin Metathesis with a Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst Investigated by Quantum Chemistry”
7th Latin American Symposium on Coordination and Organometallic Chemistry
August 27 to August 30, 2019 I Cartagena, Colombia (invited)
13.
“Elucidating the Mechanism of Olefin Metathesis with a Molybdenum Imido Alkylidene N- Heterocyclic Carbene Catalyst by Quantum Chemistry”
International Symposium on Olefin Metathesis and Related Chemistry
June 30 to July 3, 2019 I Barcelona, Spain
12.
“Elucidating the Olefin Metathesis Mechanism of A Novel Cationic Molybdenum Catalyst by Quantum Chemistry”
Federal University of Minas Gerais
March 21, 2019 I Belo Horizonte, Brazil (invited)
11.
“Associative or Dissociative? Elucidating the Mechanism of Olefin Metathesis with A Novel Cationic Molybdenum Catalyst by Quantum Chemistry”
Federal University of Rio de Janeiro
March 20, 2019 I Rio de Janeiro, Brazil (invited)
10.
“Reaction Mechanism of Olefin Metathesis with a Novel Molybdenum Catalyst”
Girona Seminar: Predictive Catalysis, Transition-Metal Reactivity by Design
April 3 to April 6, 2018 I Girona, Spain
09.
“Unravelling Reaction Mechanisms with Quantum Chemistry”
DK-CIM Winter School
March 4 to March 7, 2018 I Obergurgl, Austria (invited)
08.
“A Novel Mo-Alkylidene Catalyst Facilitates Olefin Metathesis in the Presence of Functional Groups”
Polymat 2017
October 15 to October 19, 2017 I Huatulco, Mexico (invited)
07.
“A Novel Mo-Alkylidene Catalyst Facilitates Olefin Metathesis in the Presence of Functional Groups”
National Autonomous University Mexico
October 13, 2017 I Mexico City, Mexico (invited)
06.
“A Novel Mo-Alkylidene Catalyst Facilitates Olefin Metathesis in the Presence of Functional Groups”
Gordon Research Seminar: Computational Chemistry
July 2 to July 3, 2016 I Girona, Spain
05.
“Solvation and/or Dispersion: The Quest for Accurate Bond Dissociation Energies in B12 Antivitamins”
Boeringer Ingelheim
November 30, 2015 I Biberach, Germany
04.
“On or Off: How Conformations Influence Bond Dissociation Energies in B12 Antivitamins”
16th Austrian Chemistry Days
September 21 to September 24, 2015 I Innsbruck, Austria
03.
“Spin-Spin Interactions in Biologically Relevant Model Clusters”
C4 Workshop IBM
January 19, 2011 I Rüschlikon, Switzerland
02.
“Understanding Structure and Reactivity of Transition-Metal Clusters”
Seminar in Theoretical Chemistry
February 23, 2010 I Jerusalem, Israel
01.
“Local Spin and Bond Order Terms”
Seminar Special Topics in Theoretical Chemistry
January 21, 2009 I Zürich, Switzerland
