MolSim-2026 is 2-week school that offers a program focusing on basic and advanced molecular simulation methods. It targets PhD candidates and postdoctoral researchers who want to understand and apply these methods to study topics in physics, chemistry or biology. The program has an integrated and balanced structure of lectures and hands-on exercises. It offers a recap of the basic theory relevant for molecular simulation, followed by a thorough covering of basic and advanced simulation techniques for modelling many particle systems.  In the theory lectures there is a strong focus on understanding the methodology on basis of statistical mechanics. The hands-on practical sessions aim to deepen the understanding by applying the methods to simple model systems. 

The program starts with a recap of the statistical mechanics relevant for molecular simulation, followed by lectures on basic and advanced simulation techniques including Monte Carlo, molecular dynamics, free energy calculations, rare events, and machine learning. During the lectures the theory and methods will be illustrated by appealing examples of present day research.
The special focus topic of the 2026 edition of the school will be theory, algorithms, and application of computational material design, also in the context of renewable energies and energy efficiency. This will be covered in the second week with special sessions by experts in the field and researchers associated with the CECAM-NL node.

The book ``Understanding Molecular Simulation'' (3rd Edition, 2023) by Frenkel and Smit will provide the basis of the lectures. This will be supplemented by handouts and copies of the lecture slides.

Scientific interaction among all people involved – lecturers, tutors, and participants alike – is an important aspect. There will be extended breaks in the morning and afternoon sessions to provide ample time for discussion. This is supplemented by a poster session will provide the participants to present their research in an informal (walking dinner) setting.

Financial information (updated October 22)
The participation fee will be around 1550 Euro** for participants from academic or related institutions.
The fee covers course materials, accommodation (you will share a room in a hostel, arrangements are made by the University of Amsterdam), meals (except for lunch and dinner on Saturday January 10, 2025), and coffee/tea during the school. It also covers the welcome event, a social event on Sunday, January 11 (including dinner),  a poster session including food and drinks, and local transport costs for 12 days within Amsterdam.
The fee for local participants will be around 800 Euro.** 
If admitted* to participate in the school, we expect the participation fee to be paid within two weeks after admission. Admission will be approximately one week after registration closes.

The school is an activity of the Dutch node of CECAM (CECAM-NL) and is organized in Amsterdam (NL) by the Computational Chemistry group at the University of Amsterdam, that is part of the Amsterdam Center for Multiscale Modelling (www.acmm.nl).

Vivid views of previous editions of the MolSim school can be found at www.compchem.nl/molsim .

* Note, that the school typically is substantially oversubscribed. There are no indications that this will different for the 2026 edition. Therefore, keep in mind that application to the school does not automatically imply that you can participate.
** Final fee has been set on October 31, 2025.