Conferences

Oral Presentations

2017

  • Investigation of the reactivity of non heme iron complexes by coupled cluster methods, Contributed talk at eCOSTbio meeting, Lisbon, Portugal [pdf]

2015

  • Theoretical Studies of Molybdenum Enzymes, Short talk at the IRTG Final Symposium, Göttingen, Germany [pdf]
  • Development of Hybrid QM/QM Local Correlation Methods for the Study of Metal Sites in Biomolecular Catalysis, Talk at the IRTG workshop, Katlenburg, Germany [pdf]

2014

  • Application of Local Coupled-Cluster Methods to Enzymatic Reactivity, Contributed talk at the FemEx-Oslo, Oslo, Norway [pdf]
  • Hybrid QM/QM Studies of Molybdenum Enzymes – Reaction Pathways and Redox Potentials, Talk at the IRTG workshop, Lund, Sweden [pdf]

2013

  • Accurate Calculations of Reaction Mechanisms in Bioinorganic Complexes, Talk at the “Weihnachtskolloquium” of the Faculty of Chemistry, Göttingen, Germany [pdf]
  • Hybrid QM/QM Open-Shell Local Correlation Methods for the Study of Metal Ions with Biomolecular Ligands, Talk at the IRTG workshop, Homberg (Hülsa), Germany [pdf]

Poster presentations

2017

  • A Local Coupled Cluster Investigation of Non-Heme Iron Complexes, Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), Munich, Germany

2016

  • Theoretical Investigation of Metal Catalyzed C-H/C-C Activations, 52th Symposium on Theoretical Chemistry, Bochum, Germany

2015

  • Converging Quantum Chemical Treatments of Mo-dependent Enzyme Catalysis, 51th Symposium on Theoretical Chemistry, Potsdam, Germany
  • Inclusion of High-Order Excitations through the Use of Hybrid QM/QM Calculations
    Computational Molecular Science (CMS) 2015, University of Warwick, United Kingdom

2014

  • Hybrid QM/QM Calculations on Metal Complexes – Approaching the Coupled Cluster Limit, Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), Santiago, Chile
  • Hybrid QM/QM Studies of Molybdenum Enzymes – Reaction Pathways and Redox Potentials, ORCA summer school, Gelsenkirchen, Germany

2013

  • Hybrid QM/QM local correlation methods for the study of metal ions with biomolecular ligands, 49th Symposium on Theoretical Chemistry, Erlangen, Germany
  • Hybrid QM/QM open-shell local correlation methods for the study of metal sites in biomolecular catalysis, 32nd International Symposium on Free Radicals, Potsdam, Germany

2012

  • Theoretical studies of metallophilic interactions through the use of local correlation methods, 4th EuCheMS Chemistry Congress, Prague, Czech Republic