This module aims to provide students with a diverse range of knowledge and skills related to advanced applications of modern computational chemical techniques across various subjects, such as batteries, catalysts, soft materials, and sustainable materials. Specifically: 1. To introduce modern methods of computational chemistry from quantum mechanical level to molecular interactions with case studies in aforementioned subjects; 2. To impart a practical understanding of diverse computational chemical methods and the corresponding software tools for various tasks.; 3. To explore the research applications of computational chemical techniques for developing advanced materials.
A cultivate the ability to critically evaluate the credibility and soundness of computational chemistry studies in scientific literature, B determine the suitable computational chemistry approach according to its relevance to the research application, and formulate a computational chemical strategy applicable to address the specific problem, C attain a thorough comprehension of the capabilities and limitations of conventional computational chemistry software across different methods.
26 two-hour lectures and 13 two-hour problem classes