Synthesis Predictions in AI-Based Materials Design

When and Where

Nov 27, 2023
10:30am - 11:00am

Sheraton, Second Floor, Liberty B/C



Yousung Jung1

Seoul National University1


Yousung Jung1

Seoul National University1
Chemical research is primarily focused on discovering new molecules and materials that possess desired properties. To improve this process, an effective strategy involves utilizing all accessible knowledge and data to strategically design future materials using computers. However, a notable hurdle in digital discovery is that many molecules and materials designed computationally are often impractical to synthesize in the laboratory. In this presentation, I will delve into the synthesizability of molecules and materials, including the prediction of synthesis pathways (retrosynthesis) and chemical reactivity. Additionally, I will explore several challenges and opportunities that await further advancements in accelerated chemical platforms.

Symposium Organizers

James Chapman, Boston University
Victor Fung, Georgia Institute of Technology
Prashun Gorai, National Renewable Energy Laboratory
Qian Yang, University of Connecticut

Symposium Support

Elsevier B.V.

Publishing Alliance

MRS publishes with Springer Nature


Symposium Support