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ICTP Workshop on Crystal Structure Prediction (No replies)

5 months ago
scandolo 5 months ago

Exploring the Mendeleev Table as a Palette to Design New Materials

14-18 January 2019, ICTP, Trieste, Italy

The Workshop focuses on recent developments in the prediction of crystal structures by computational methods. Thanks to enormous progresses in computational power and in algorithm development, we are now closer to the possibility to predict the structure of a material from the simple knowledge of its composition. This Workshop will be dedicated to presenting and discussing the algorithms for in-silico crystal structure prediction that were developed in the last years, focusing in particular on the approaches based on molecular modeling.

The Workshop will be divided in two parts: the first 3 days will be dedicated to an advanced discussion of the latest advances in the field while the last 2 days will be dedicated to hands-on tutorials with structure prediction methods in combination with electronic structure and atomistic methods.

=> Deadline to apply: Friday, 02 November 2018 <=

Application form and other details at: http://indico.ictp.it/event/8673/

Please notice that the Workshop takes place the week following the 19th “Total Energy” Workshop. More information on the “Total Energy” workshop at http://indico.ictp.it/event/8658/

Workshop directors: Artem Oganov, Alessandro Laio, Gautam Desiraju, Sandro Scandolo

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Ab initio (from electronic structure) calculation of complex processes in materials