We invite you to participate in the Workshop on Molecular Modeling and Computational Chemistry, organized by the Faculty of Chemistry of Yerevan State University. The workshop will take place in the beautiful village of Dsegh (in the north of Armenia) from the 29th of June to the 3rd of July 2026. 

The workshop aims to develop the skills of young researchers in the field of computational chemistry and molecular modeling techniques. The program includes theoretical lectures and practical mini-hackathons that will allow participants to work on collaborative scientific projects using state-of-the-art computational tools. 

The school-workshop aims to develop the skills of young researchers in the field of computational chemistry and molecular modeling techniques. The program includes theoretical lectures and hands-on mini-hackathons that will allow participants to work on collaborative scientific projects using state-of-the-art computational tools. It will also feature conference sessions, where young participants can share their scientific work. 

The event will be held in a camp format, with participants living in the tents. To bring us all together, we will cook and clean in pre-defined shifts. The glamping-style living conditions will also include a house with showers and toilets. You will also need your own laptop to work on the projects.

The program will include:

• Morning lectures presenting the theoretical fundamentals and new trends in molecular modeling.

• Afternoon hands-on sessions (mini-hackathons), where participants will work on collaborative scientific projects using state-of-the-art computational chemistry tools.

• Evening poster sessions where participants will present their research, followed by informal discussions and social events to foster collaboration.

• A hike to explore the beautiful views of the Armenian landscape. 

• Evening barbecue. 

We are eager to meet you in picturesque Armenia! 

Mentors

1. Nikita Orekhov (Moscow Institute of Physics and Technology).

   • Nikita will give a lecture course on molecular dynamics and machine-learning force fields.

   • On his tutorial track, you will learn to use the open-source package LAMMPS to explore the depth of molecular life not yet accessible to experiments.

2. Denis Tikhonov (Center for Free-Electron Laser Science CFEL, Deutsches Elektronen-Synchrotron DESY).

   • Denis will tell you about structural isomerism of molecules, about conformational equilibria and their effects on the chemistry and physics of systems, and about physico-chemical methods for investigating matter.

   • In his research course, you will participate in software development for a script to compare conformers. During this process, you will learn about joint development, unit testing, and other fun stuff.  

3. Oleg Afanasyev (A. N. Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences).

   • Oleg, as the creator of OdanChem, will talk about the nuances of work with large chemical databases, how to compare incomparable spectra, and, most importantly, how to combine theoretical chemoinformatics and AI with real-life problems of synthetic chemists (who do not want any of that). 

   • During Oleg’s practical course, you will learn about the chemoinformatics of metalorganic compounds and/or about the analysis of NMR spectra.

4. Alexandra Freidzon (Weizmann Institute of Science). 

   • Alexandra will teach you about photochemistry and about the mysterious world of multireference quantum-chemical calculations, helping to understand said photochemistry. 

   • On her track, you will converge your first multireference calculation, learn about the spin-orbit couplings, and other fun and complicated subjects of photochemical modeling.

5. Leonid Shirkov (Nicolaus Copernicus University in Toruń)

   • Leonid will gently lead you from quantum chemistry to quantum scattering. Immerse yourself in the world of intermolecular interactions to discover why a gecko can stick to the ceiling, why cooling down molecules with scattering is so "cool" today, and how to unlock the secrets of quantum-controlled chemistry.

   • We will begin with the solution to the electronic Schrödinger equation, followed by a hands-on session where you'll calculate intermolecular interaction energy using quantum chemistry packages. From there, you will construct an analytical potential for a chosen complex and apply it directly to quantum scattering processes.

Registration

The registration is possible via the following link: 

https://forms.gle/F2qF6RbP7F5AE2We6

Upon registration, you need to choose a primary practical track and a backup track, in case you do not make it to the primary one.