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 Bañosthe 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

 

สถาบันหรือองค์กรที่เกี่ยวข้องกับหัวข้อสัมมนา
เกี่ยวกับวิทยากร
Dr. Julathep Kajornchaiyakul
National Metal and Materials Technology Center, Thailand
Dr. Arkapol Saengdeejing
National Institute for Materials Science, Japan
Dr. Tongjai Chookajorn
National Metal and Materials Technology Center, Thailand
Ms. Anne Nicole P. Hipolito
University of the Philippines Los Baños, the Philippines
Mr. Viejay Z. Ordillo
University of the Philippines Los Baños, the Philippines
Ms. Marianne A. Palmero
University of the Philippines Los Baños, the Philippines
Dr. Krisda Tapracharoen
National Metal and Materials Technology Center, Thailand
Dr. Teck Leong Tan
Institute of High Performance Computing, Singapore
Dr. Koji Shimizu
The University of Tokyo, Japan
Dr.-Ing. Napat Vajragupta
VTT Technical Research Centre of Finland, Finland
Dr. Nongnuch Artrith
Utrecht University, The Netherlands
Mr. Boonyawat Teeraprawatekul
Acme International (Thailand) Ltd.
Dr. Sorayot Chinkanjanarot
National Metal and Materials Technology Center, Thailand
Dr. Apinya Panupat
National Metal and Materials Technology Center, Thailand
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