Hokkaido University

Institute for Chemical Reaction Design and Discovery (ICReDD)

Prof. Maeda proposed the idea of applying a virtual mechanical force to reaction systems in order to unveil

potential pathways (artificial force induced reaction; AFIR). Based on this idea, he developed the world’s first
Director
generalmethod to systematically predict unknown reaction paths. We here aim to establish the scientific field
Satoshi Maedaof “Chemical Reaction Design and Discovery (CReDD)”, which should allow the efficient development ofchemical reactions through a combination of computational, information, and experimental sciences.

Aim
The ultimate goal of the Institute for Chemical Reaction Design andDiscovery (ICReDD) is to acquire an in-depth understanding ofchemical reactions by analyzing complex networks of chemical
reaction paths in order to accelerate the efficiency of the developmentof new chemical reactions. Considering that the current trial-and-error
approach to the development of new
chemical reactions is time-consuming andinefficient, by using state-of-the-art reaction
path search methods based on quantum
chemical calculations and collaborating withinformation and experimental scientists, wehope to establish the new academic field“Chemical Reaction Design and Discovery(CReDD)”, which will allows efficiently
developing advanced chemical reactions
and materials.

Characteristics● To establish the new academic field “Chemical Reaction Design andDiscovery (CReDD)” that integrates computational, information,and experimental sciences in order to accelerate the efficiency of thedevelopment of new chemical reactions, which is indispensable for aprosperous and sustainable future of humanity.

● To establish the MANABIYA system to educate young researchersand graduate students in order to realize a global circulation system
for world-class scientists in the integrative research area CReDD.

●To implement organizational reform of the university centering on theestablishment of the new graduate school "Chemical Reaction Designand Discovery".

ResearchThe ICReDD uses the AFIR method to calculate chemical reaction-path
networks, and applies concepts of information science in order toextract meaningful information for experiments, thus narrowing down
optimal experimental conditions. This approach enables “pinpointing”
promising experiments. In addition, data obtained by the experimental
scientists is circulated back to the computational scientists to realize
high-level design and rapid development of chemical reactions.
1. To create high value-added
reactions useful for society.

CReDD

2. To develop new materials
based on chemical reactions.
3. To design and discovercellularandbiologicalreactions for applications inadvanced medical care.

Collaborations
MANABIYA system: Young researchers and students from domestic
and overseas collaboration institutes stay at the ICReDD for about
three months, master the new reaction development method throughcollaborative research, and each researcher will utilize it in the future.
After 10 years, theMANABIYA
network
will comprise several
hundreds researchers,
which will support thefurther development of
this new field.