Seminar on Theoretical Chemistry

Winter term 2023/24 

• 12.10.2023
  Dr. Dietmar Paschek
  Inst. f. Chemie
  Universität Rostock
  Hydrogen Bond Population Correlation Functions & Periodic Boundary Conditions: Worth the Fuss?
   
• 23.11.2023
  Dr. Jan Hamaekers
  Fraunhofer Inst. for Algorithms and Scientific Computing
  Schloss Birlinghoven, Sankt Augustin
  Machine learning in materials design and discovery
   
• 07.12.2023
  Dr. Nore Stolte
  Theoretische Chemie Max Planck Institut für Kohlenforschung
  Ruhr-Universität Bochum Mülheim a. d. Ruhr
  Isotope Effects in Liquid Water at CCSD(T) Accuracy with Coupled Cluster Molecular Dynamics 
   
• 14.12.2023
  Tiago da Costa Gouveia Leyser
  Max Planck Institut für Kohlenforschung
  Mülheim a. d. Ruhr
  General Spin ROCIS and its Applications to X-ray Spectroscopy
  
  
• 25.01.2024
  Prof. Dr. Trevor A. Hamlin
  Vrije Universiteit Amsterdam
   Amsterdam, Netherlands
  

  Origin of Catalysis and Regioselectivity in Lewis Acid-Catalyzed Cycloaddition Reactions

  
  

 The lectures take place at 5 p.m. c.t. in the lecture hall of the Clausius Institute of Physical and Theoretical  Chemistry, Wegelerstr. 12, 53115 Bonn.