Over VirtualCourse on Force Fields

The theory lectures will address basic principles of the most common force field models and their connection to the electronic structure of matter. The hands-on sessions focus on the derivation and implementation of force field models. The target audience for the course are early-stage researchers, but anyone interested is welcome to participate. Initial competences in electronic structure methods, linear algebra and Python programming are assumed.

The virtual course will be organized in three half-day sessions:

• Tue March 2^nd, morning session: quantum perspective on the chemical bond, many-body expansion, non-reactive force fields.
• Tue March 2^nd, afternoon session: reactive force fields with special emphasis on ReaxFF, machine learning force fields, startup of hands-on.
• Thu March 4^th, morning session: Q&A, continuation hands-on, closing words.

One half day of lectures consists of three 45-minute interactive live streams with 20-minute breaks in between.

Participation is free but registration is mandatory by filling out the registration form. There is no strict limit on the number of participants, except that one-on-one guidance in the hands-on sessions may be limited to a subset of the group. The registration will be closed on February 15^th and a more detailed program will be made available on February 16^th.

The course is organized in the frame of the AutoCheMo MSCA ITN.

_{The AutoCheMo project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 814143.}