From 15^th to 19^th of November, the IX^th International School-Conference of Young Scientists "Synthesis of Electrode Materials" was held at Skoltech. Our team participated in the conference as organizers of the computational track "Guiding Synthesis by Materials Modeling".

During the conference, Dmitry Aksyonov gave a lecture titled "Atomistic Modeling for Guiding Synthesis of Materials". In his lecture, Dmitry introduced materials modeling, overviewed the methods and scales used, and then demonstrated an example case of modeling processes in co-precipitation synthesis. He also provided a review of DFT atomistic modeling and its basics.

Anton Boev presented a lecture on "Application of Modeling for Materials Synthesis". He provided a guide on how simulations can help in the wet laboratory during material development. The topics he covered included high-throughput DFT screening of new materials and dopants, useful databases of experimental techniques for material synthesis (Materials Project Synthesis Explorer). He also explained how to use computational methods for modeling of phase diagrams and talked about Wulff shapes of the particles. At the end of the lecture, Anton gave some examples of works on modeling completed by our group.

Track “Guiding Synthesis by Materials Modeling” included several tutorials and mini-lectures, given by Dmitry Aksyonov, Anton Boev, Arseniy Burov, Andrey Geondzhian and Maria Solovieva. The topics covered were:

• Modeling point defects in solids;

• Construstion of phase diagrams;

• Particles morphology and Wulff shapes;

• X-ray absorbtion spectra from the first principles.

Presentations and workshop materials are published in “Teaching” section of our website.

We would like to thank all our participants for productive five days and we are looking forward to the X^th ICYS next year!