On-line Workshop
Computational Methods in Materials Science
Fundamentals and Applications
24-25 September 2021
Based in Warsaw and Poznań, POLAND
Invited Speakers
- Plenary lecture E-MRS 2021 Fall Meeting :
C. Richard A. Catlow, Rutherford Appleton Laboratory, Harwell, Oxon, UK, Cardiff University Cardiff, UK, University College London London, UK
Computer Modelling as a Tool in Materials Science - Mois Aroyo, University of the Basque Country, Bilbao, Spain Online Material Studies by the Bilbao Crystallographic Server - Hands-on Session
- Roman Minikayev, Institute of Physics PAS, Warsaw, Poland Rietveld Method for Beginners Using the Fullprof Code
- Volker Blum, Duke University, Durham, USA The FHI-Aims Code and the GIMS Interface for Efficient, Precise All-Electron Simulations of Molecules and Materials
- Gianfranco Pacchioni, University of Milano-Bicocca, Milano, Italy Theory of Magnetic Impurities in Oxides. Complex Problem, Pragmatic Solution
- Andrei V. Postnikov, University of Lorraine, Metz, France Adsorption of Atoms and Molecules on Graphene-Like and Borophene Monolayers: Issues of Concern and Sources of Error
- Alexey A. Sokol, University College London, London, UK Interatomic Potentials and Optimisation Methods
- Matthias Wuttig, RWTH Aachen University, Aachen, Germany Functional Materials by Design: Developing Treasure Maps with Quantum Chemistry
- Eva Zurek, University at Buffalo, SUNY, Buffalo, USA Predicting Crystal Structures with Evolutionary Algorithms
- Mirosław Werwiński, Institute of Molecular Physics PAS, Poznań, Poland Magnetic Materials Modeling from First Principles
