Crash course on Computational Chemistry

Class hours and location: 7.09.2019, 14:30-17:30, room EB-2 3006/3007

Course website:

Skoltech address: 30 Bolshoy Boulevard (Yandex Maps), see also public transportation

Instructor: Andriy Zhugayevych (, phone 3343, office 223b at 3 Nobel St)

Co-Instructors: Dmitry Aksenov, Sergey Tretiak

T.A.: Nikita Tukachev, Artem Sergeev

IT support: Victor Vysotskii (

Description: The crash course provides hands-on experience with basic types of calculations in Computational Chemistry using Gaussian, VASP, LAMPPS and optionally other programs. Any other questions on Computational Chemistry will be addressed at short Q&A session.

Intended learning outcomes: At the end of the course, the students will be able to:

Prerequisites: The course relies on basic undergraduate math/physics/chemistry background, however no background in computational chemistry is assumed or required. See also required software and download work files for: Gaussian, VASP, LAMMPS.

Course content: