Focusing on Cutting-Edge Research

As its title suggests, CTTC 2026 will focus on current topics in theoretical chemistry, prioritizing areas that simultaneously enhance students' fundamental understanding and contribute significantly to the academic communities in Taiwan and the broader Asian region. Our focus is on modern developments that offer advanced capabilities for describing complex systems and provide profound insights into challenging problems. Specifically, this workshop will highlight two critical fields:

1. Density Functional Theories: We will explore contemporary approaches to address and mitigate the inherent challenges within these theories, pushing the boundaries of their applicability. For example, the fractional charge and spin errors are known to be the center of the problems in DFT.  Various approaches that can migitate or fix the problem have been developed over the past decades and various applications have also been developed. [1-4]

2. Dynamics simulation for revealing detailed catalysis, solvation, and complex processes: The available machine-learning has enabled dynamic simulation at various scales, for different purposes, with much less constraints on problems that can be treated. [5,6] The area of Nonadiabatic Nuclear-Electronic Dynamics offers crucial insights into systems where electronic and nuclear motions are intricately coupled, leading to a deeper understanding of chemical processes.[7,8]

This focused approach aims for CTTC 2026 to be a platform for sharing advanced research, and we believe it will significantly contribute to developing the next generation of theoretical chemists in the Asia-Pacific.