Atomistica WORKSHOPS
Satelite event of 15th ECerS
WORKSHOP ON ATOMISTIC CALCULATIONS IN MATERIALS SCIENCE
About CYSC 2023
The Fifteenth ECerS Conference for Young Scientists in Ceramics (CYSC 2023) was held in Novi Sad, Serbia, from October 11 to 14, 2023, organized by the Department of Materials Engineering, Faculty of Technology Novi Sad, University of Novi Sad, under the guidance of Prof. Dr. Vladimir Srdić, in cooperation with the Young Ceramists Network (YCN) of the European Ceramic Society (ECerS).
This long-standing international conference serves as a key platform for young researchers, master’s, and Ph.D. students to present their scientific contributions, share knowledge, and build lasting professional connections in the field of ceramics. By encouraging interaction and collaboration between participants from universities and research institutes across Europe and beyond, CYSC promotes innovation, interdisciplinary exchange, and the advancement of ceramic science and technology.
The event took place at the Faculty of Technology Novi Sad (Bulevar Cara Lazara 1) and the University of Novi Sad Central Building (Dr Zorana Đinđića 1), both located within the University Campus of Novi Sad. The conference topics covered a wide range of research areas, including Advanced Ceramics, Traditional Ceramics, and Ceramic Composites.
Workshop on Atomistic Calculations in Materials Science
As a part of satellite event of the CYSC 2023 conference, the Workshop on Atomistic Calculations in Materials Science was organized with the goal of introducing students and conference participants to the fundamental principles and practical aspects of atomistic calculations. The workshop provided a hands-on learning experience focused on the use of modern computational tools in materials science, connecting the gap between theoretical understanding and real-world applications.
The event was powered by Atomistica, an online platform developed to make atomistic modeling more accessible for education, research, and collaborative projects. During the workshop, participants explored semiempirical quantum-chemical methods implemented in the xTB program, accessed through Atomistica’s web interface. This approach allowed attendees to perform molecular and materials calculations directly online, without the need for complex software installation, highlighting Atomistica’s capability to serve as both a computational research environment and a teaching tool for molecular modeling.
Through live demonstrations and guided exercises, participants gained practical experience in setting up and interpreting atomistic simulations, deepening their understanding of the methods that are applied in modern computational materials science.
For the purposes of this workshop, a comprehensive set of practical exercises and instructional materials was prepared, which later evolved into the freely available online course Molecular Modeling 101, designed to help students and researchers continue learning the fundamentals of molecular modeling and atomistic calculations beyond the conference.
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