14-18 January 2019
- Artem R. Oganov (Skolkovo Institute of Science and Technology, Moscow, Russia)
- A Laio (SISSA, Trieste, Italy)
- G. Desiraju (Indian Institute of Science, Bangalore, India)
- S. Scandolo (ICTP, Trieste, Italy)
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 Worshop 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. We find particularly appropriate holding this conference in 2019, the International Year of the Periodic Table, since crystal structure prediction is rooted in a deep knowledge of the properties of the atoms. The Workshop will be divided into two parts: the first three days will be dedicated to an advanced discussion of the latest developments in the field, and the last two days will be dedicated to handson tutorials with structure prediction methods in combination with electronic structure and atomistic methods. A Poster Session will also be organized during the Workshop.
The workshop program.