ICMAT 2025

Symposium S

Computational Materials in All Aspects: from Fundamental Science to Engineering Application

Yixiang Gan (University of Sydney, Australia)
Yoyo Hinuma (National Institute of Advanced Industrial Science and Technology, Japan)
Rita John (University of Madras, India)
Santosh Kapuria (Indian Institute of Technology Delhi, India)
Lan (Samantha) Li (Boise State University, United States)
Neng Li (Wuhan University of Technology, China)
Shuxin Li (Wuhan University of Technology, China)
Menglong Liu (Harbin Institute of Technology Shenzhen, China)
Masato Yoshiya (Osaka University, Japan)
Tsuyoshi Miyazaki (National Institute for Materials Science, Japan)
Hui Pan (University of Macau, Macao)
Thomas Proffen (Oak Ridge National Laboratory, United States)
Masae Takahashi (Tohoku University, Japan)
Joanna Wong (University of Calgary, Canada)
Wenyi Yan (Monash University, Australia)
Kesong Yang (University of California San Diego, United States)
Chi-Hua Yu (National Cheng Kung University, Taiwan)
Zhixin Zhan
(Beihang University, China)
Lishu Zhang (University of Nebraska – Lincoln, United States)
Zaoli Zhang (Erich Schmid Institute of Materials Science, Austrian Academy of Sciences, Austria)

This symposium aims to promote international exchange of new knowledge and recent development in all aspects of computational modeling and simulation of advanced materials systems and their engineering application, especially featuring the most advanced mathematical modeling and numerical methodology developments. It includes all classes of materials (such as metals, polymers, ceramics, composites, biomaterials, nanomaterials, etc.) and their structures (functional solids, soft matter, multiphase materials, coatings, etc.). Of specific interest are the underlying physics and chemistry governing the functional elements of the materials, and these functions include (but are not limited to) structural, thermal, chemical, magnetic, or their interdisciplinary combination. Although the analytical and numerical analyses of these functional elements of materials constitute the main highlights of this symposium, important computational studies of other aspects will also be welcome, such as imperfections in materials and their resulting limitations, novel processes for advanced materials synthesis, engineering of material properties, environmental consideration in material performance, etc. The topics include, but are not limited to:

Methodology Development/Refinement
• Artificial intelligence
• Ab Initio
• Continuum modeling
• Device level simulation
• Digital materials design
• Empirical molecular dynamics
• Multiphase modeling
• Multiphysics modeling
• Multiscale modeling
• Semi-empirical Modeling of Novel Material Systems
• Biomaterials
• Catalytic materials
• Composite materials
• Electrochemical materials
• Green materials
• Ionic liquids
• Mechanobiology (bones, arteries, organs, implantable devices)
• Magnetic materials
• Polymeric systems
Modeling of Novel Nanomaterials
• Low-dimensional nanomaterials
• Nanocomposites
• Nanofilms, nanoholes
• Nanocrystalline, nanophase, nanostructured materials
• Nanodots, inorganic macromolecules

Chair(s)

Li Hua (NTU, Singapore)
Cui Fangsen (IHPC, Singapore)

Co-Chair(s)

Liu Zishun (Xi’an Jiaotong Uni, China)
Liu Qimin (Wuhan Uni. of Tech, China)
Nimal Rajapakse (Simon Fraser Uni., Canada)

Scientific Advisor

Si-Young Choi (Pohang)

 Correspondence

Yeng Ming Lam
Nanyang Technological University, Singapore
Email: ymlam@ntu.edu.sg