Employees of SCTMS took part in VASP training school (Rennes, France) 
7 July 2019

20190707-01Albina Gurskaya and Mikhail Frolov took part in the International scientific school on quantum mechanical modeling, which was held from 26 to 29 June 2019 in Rennes (France).

More than 50 graduate students, young researchers and industrial workers from France, Czech Republic, Russia, Poland, Germany, etc. participated in the scientific school.

The main goal was to study the intricacies of using, strengths and limits of the Vienna Ab-initio Simulation Package (VASP) software package within the DFT (density functional theory). The school participants listened to general lectures on methods within the DFT, counting algorithms, various approaches to the calculation of physical quantities using pseudopotentials in different approximations and hybrid functions. Also there was discussing devoted how to speed up computational procedures during parallelization. Lectures were accompanied by practical exercises.

Among the lecturers of the school were the direct developers of the software package Dr. Martijn Marsman, Dr. Merzuk Kaltak and others.