This course series covers quantum chemistry and density functional theory, molecular dynamics and machine learning molecular dynamics, solid-state electronic structure, statistical thermodynamics, and free energy calculation methods. It systematically explores the core principles of computational chemistry and its cutting-edge applications.

This course series covers hands-on practice with mainstream computational tools such as VASP, QE, and CP2K, along with the fundamentals of modeling using ASE and Packmol, and the efficient application of ai²kit. It provides systematic guidance on software usage, optimization, and molecular dynamics simulations.

This course series covers an introduction to Python programming, an overview of artificial intelligence technologies, and practical training in AI model development. Ranging from basic syntax to core concepts of machine learning, it lays a solid foundation for innovative applications of AI in chemistry and related fields.

This course series includes an introduction to basic Linux knowledge and user training for the IKKEM Intelligent Computing Center.

This course series mainly introduces how to search for literature, manage references, key points to note when reading papers, and important aspects of literature presentation. It provides a detailed introduction to the use of literature search platforms such as X-mol and Web of Science, as well as reference management tools like EndNote and Zotero.