Speaker:	Satoru Iwata (UTokyo & Hokkaido Univ.)
Title:	Mathematical Approach to Chemical Reaction Design and Discovery
Date (JST):	Wed, Jun 17, 2026, 15:30 - 17:00
Place:	Lecture Hall
Abstract:	Recent developments of quantum chemistry calculation enable us to explore the potential energy surface to extract reaction path networks. We aim at utilizing this methodology to realize design and discovery of new chemical reactions. This talk presents our first-principles strategy framework for catalyst design, called Virtual-Ligand Assisted Optimization (VLAO), putting emphasis on its mathematical and computational aspects. The talk is based on joint work with Wataru Matsuoka, Taihei Oki, Yu Harabuchi, and Satoshi Maeda from WPI-ICReDD, Hokkaido University.

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