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Session "Bridging length and time scales in ... (No replies)
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Dear Psi-k community,
GeoMinKöln 2022, the annual meeting of the German Geological and Mineralogical Societies, will take place from 11th to 15th September in Cologne, Germany. This time, there will be a session dedicated to the computational modelling of geomaterials and related compounds at different levels of theory. More details can be found below.
We'd be delighted to receive submissions from interested parts of the Psi-k community!
Abstract deadline: 31st of May (an extension is on the cards)
With best wishes,
Michael Fischer
Bridging length and time scales in the modelling of geomaterials
Conveners: Michael Fischer, Andreas Lüttge, Faculty of Geosciences, University of Bremen, Germany
Keynote: Dr. Daniel Tunega, Universität für Bodenkultur Wien
Computational materials modelling plays an increasingly important role in both geosciences and materials sciences. Individual applications often address vastly different length and time scales, from ab-initio molecular dynamics simulations that follow the motion of individual atoms over a few picoseconds via kinetic Monte Carlo calculations with system sizes at the meso scale to finite elements models for large scale systems. This session aims to bring together researchers who employ computational materials modelling methods including, but not limited to, electronic structure methods, force field calculations, kinetic Monte Carlo simulations, and finite element methods. All contributions should fall into the scope of the conference theme “Mineralogy in the 21st Century: From Geological Processes to Crystallography and New Materials”. Both the development of new methods and the application of existing techniques to new scientific problems are of interest. Contributions reporting results from combined experimental and computational studies are explicitly welcome.