Workshop Schrödinger Materials Science Suite

In August 2018, the first workshop was held by Stevan at the Faculty of Sciences, University of Tuzla, in Tuzla, Bosnia and Herzegovina. The three-day event gathered an inspiring group of young researchers and students eager to explore the fundamentals of molecular modeling and atomistic simulations.

The workshop, supported by Schrödinger, provided participants with access to the Schrödinger Materials Science Suite, one of the world’s most advanced computational environments for molecular design and materials research. Through Schrödinger’s generosity, temporary academic licenses were granted for use during the workshop and for one month afterward, enabling participants to continue their learning and apply the acquired skills independently once they returned home.

The goal of the workshop was to introduce students to the fundamental principles of molecular modeling and to demonstrate the power and versatility of a state-of-the-art modeling suite in solving real scientific problems. Participants learned how molecular-level understanding can be achieved through computational chemistry, exploring case studies involving quasi-periodic materials, intermolecular interactions, and DFT-based approaches.

This event marked an important milestone, it not only provided hands-on experience to students from the Western Balkans but also initiated collaborations that led to a peer-reviewed scientific publication in the Journal of Molecular Liquids titled: Sumanene as a delivery system for 5-fluorouracil drug – DFT, SAPT and MD study.