Symposium on Materials Modeling and Artificial Intelligence for Materials Design

29 March 2023

Symposium on Materials Modeling and Artificial Intelligence for Materials Design

วิทยากร

Dr. Nongnuch Artrith
Dr. Sorayot Chinkanjanarot
Dr. Tongjai Chookajorn
Ms. Anne Nicole P. Hipolito
Dr. Julathep Kajornchaiyakul
Mr. Viejay Z. Ordillo
Ms. Marianne A. Palmero
Dr. Apinya Panupat
Dr. Arkapol Saengdeejing
Dr. Koji Shimizu
Dr. Teck Leong Tan
Dr. Krisda Tapracharoen
Mr. Boonyawat Teeraprawatekul
Dr.-Ing. Napat Vajragupta

Introduction:

The relationship between structure, composition, and properties has guided the design of materials for the optimization of their performances. However, performing experiments to acquire the data needed to understand such relationships can be highly expensive, especially for more complex materials and more specialized applications. Materials modeling has expedited materials design by computationally simulating the structures or behaviors needed for targeted properties. More recently, applications of artificial intelligence and materials informatics have been shown to further improve or supplement materials modeling, leading to more efficient use of resources and time needed to develop materials and products. In this symposium, modeling of materials across different scales will be presented by a panel of international experts. Current trends in materials modeling and applications of artificial intelligence for materials-related research and development will be discussed.

Schedule:

08:45 – 09:00	Registration and logging in
09:00 – 09:10	Opening remarks Dr. Julathep Kajornchaiyakul, Executive Director, National Metal and Materials Technology Center (MTEC), Thailand
09:10 – 09:20	Introduction of honorary guests and group photo Moderators: Dr. Tongjai Chookajorn, MTEC, Thailand Dr. Sorayot Chinkanjanarot, MTEC, Thailand
09:20 – 09:40	Constructing CALPHAD-type Thermodynamic Database using Data from First-principles Calculations Dr. Arkapol Saengdeejing, National Institute for Materials Science, Japan
09:40 –10:00	Tailoring Alloy Structures via Grain Boundary Segregation Engineering Dr. Tongjai Chookajorn, MTEC, Thailand
10:00 – 10:10	Break
10:10 – 10:30	Insights into the Surface Atom Segregation in Single Atom Alloy Surfaces: A First-principles Study Anne Nicole P. Hipolito, University of the Philippines Los Baños, the Philippines
10:30 – 10:50	Machine Learning-Aided DFT-based Study of Reactivity of Single Atom Alloy Surfaces Viejay Z. Ordillo, University of the Philippines Los Baños, the Philippines
10:50 – 11:10	Effects of Diffusion Barrier Layer on H-induced Interdiffusion in Pd/V Surfaces Marianne A. Palmero, University of the Philippines Los Baños, the Philippines
11:10 – 12:00	Exhibition and virtual tour Guide: Dr. Krisda Tapracharoen, MTEC, Thailand
12:00 – 13:30	Break
13:30 – 13:40	Welcome back
13:40 – 14:00	Predicting Structure-Property Relationships of High Entropy Materials via Machine-Learning Dr. Teck Leong Tan, Institute of High Performance Computing, Singapore
14:00 – 14:20	Construction of Machine Learning Potentials for Multi-element Alloys Dr. Koji Shimizu, The University of Tokyo, Japan
14:20 – 14:40	Integrated Computational Materials Engineering Toolkit to Understand Process-Structure-Property Relationships of Additively Manufactured Metals Dr.-Ing. Napat Vajragupta, VTT Technical Research Centre of Finland, Finland
14:40 – 14:50	Break
14:50 – 15:10	Machine Learning for Simulating Complex Energy Materials with Non-Crystalline Structures Dr. Nongnuch Artrith, Utrecht University, The Netherlands
15:10 – 15:50	*Panel discussion on* Current Trends in Modeling- and AI-aided Materials Design at MTEC Moderator: Dr. Apinya Panupat, MTEC, Thailand Panelists: Dr. Krisda Tapracharoen, MTEC, Thailand Dr. Sorayot Chinkanjanarot, MTEC, Thailand Mr. Boonyawat Teeraprawatekul, Acme International (Thailand) Ltd.
15:50 – 16:00	Closing