Uzbekistan is expanding its capabilities in materials science, and Namangan State University—home to active groups in physics, chemistry, and engineering—will host a dedicated  school focused on simulation-driven discovery. This program provides senior BSc and MSc students with a brief practical introduction to molecular dynamics  and density functional theory , the essential tools for modeling structure, properties, and transport at the atomic level. Through hands-on tutorials and mini-projects, participants will learn modern workflows and open software while engaging with mentors and potential collaborators in academia and industry. We aim to enroll about 30 local students and those from universities across Uzbekistan, helping to foster a sustainable, interdisciplinary research community. Organisers: ● project coordinator: S. Mehdi Vaez Allaei, University of Tehran, Iran ● local coordinator: Umedjon Khalilov, Arifov Institute of Ion-Plasma and Laser Technologies, Academy of Sciences of Uzbekistan, and University of Antwerp, Belgium ● local coordinator: Bakhromjon Abdulazizov, Namangan State University Speakers: ● S. Mehdi Vaez Allaei, University of Tehran, Iran ● S. Javad Hashemifar, Isfahan University of Technology, Iran ● N. Stojic, ICTP, Italy