Seminar on Theoretical Chemistry

Winter term 2024/2025 

• 28.11.2024
  Bastian Schnieder
  Ruhr-Universität Bochum
  Quantum Chemical Modeling of Biochar Combustion
   
• 16.01.2025
  Dr. Golokesh Santra
  Max-Planck-Inst. f. Kohlenforschung, Mülheim a. d. Ruhr
  Refined Computational Protocol for Calculations of 57Fe Mössbauer Parameters 
  
  
• 23.01.2025
  Dr. Bernardo de Souza
  FAccTs GmbH Köln
  New heuristic algorithms implemented in ORCA6: the Global Optimizer Algorithm (GOAT) for conformational
  searches and the DOCKER/SOLVATOR for automatic creation of molecular aggregates 
  
  

 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.