Molecular Dynamics for Material Science

Join us for an in-depth workshop on computational materials research, with a special focus on molecular dynamics (MD) methodologies applied to energy and storage materials. This workshop introduces participants to the GEMDAT analysis tool, a flexible, user-friendly, and open-access Python-based code developed by Delft University of Technology and the eScience Center of Amsterdam.

GEMDAT is designed for seamless integration with pymatgen, providing scientists with a unified framework to extract and analyze physical properties from MD simulations. Participants will learn how to utilize GEMDAT to streamline their MD analysis workflows and tailor the tool to their specific research needs.

The workshop will feature:

Conference-style presentations and discussions for researchers to share insights and challenges in materials science.

Demonstrations of GEMDAT’s powerful features through real-world research cases.

Hands-on sessions where participants will actively analyze example MD simulation data using GEMDAT.

Presentation of complementary techniques such as Monte Carlo and Phase Fields.

This is an excellent opportunity to enhance your research capabilities, collaborate with peers, and gain practical skills in advanced MD analysis techniques. For more information, visit: https://gemdat.readthedocs.io/en/latest/                   https://github.com/GEMDAT-repos/GEMDAT