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Symposium: F1. Modelling of Materials Structure, Defects and Properties
Keynote Speakers
Prof. Dr. Kaoru Ohno
Abstract Title: Tolerance behavior of the first-principles phase field method
From: Faculty of Engineering Science, Department of Physics, Yokohama National University, Japan
Abstract Title: Tolerance behavior of the first-principles phase field method
From: Faculty of Engineering Science, Department of Physics, Yokohama National University, Japan
Prof. Dr. Hui Pan
Abstract Title: P-/N-Functionalized MXenes for Electrocatalysis
From: Institute of Applied Physics and Materials Engineering, University of Macau, Macau, China
Abstract Title: P-/N-Functionalized MXenes for Electrocatalysis
From: Institute of Applied Physics and Materials Engineering, University of Macau, Macau, China
Invited Speakers
Dr. Jer-Lai Kuo
Abstract Title: Understanding Potential Surface of Molecular Systems via Vibrational Spectroscopy
From: Instutite of Atomic and Molecular Sciences, Academia Sinica, Taiwan
Abstract Title: Understanding Potential Surface of Molecular Systems via Vibrational Spectroscopy
From: Instutite of Atomic and Molecular Sciences, Academia Sinica, Taiwan
Prof. Momoji Kubo
Abstract Title: Introduction of supercomputer “MASAMUNE-IMR” and its application to large-scale material fracture and wear simulations
From: Institute for Materials Research, Tohoku University, Sendai, Japan
Abstract Title: Introduction of supercomputer “MASAMUNE-IMR” and its application to large-scale material fracture and wear simulations
From: Institute for Materials Research, Tohoku University, Sendai, Japan
Prof. Ryoji Sahara
Abstract Title: Thermodynamic properties of NiA1 system using a first-principles renormalized potential
From: National Institute for Materials Science, Japan
Abstract Title: Thermodynamic properties of NiA1 system using a first-principles renormalized potential
From: National Institute for Materials Science, Japan
Prof. Dr. Manickam Mahendran
Abstract Title: An ab inito study on the Structural, Mechanical, Electronic and Magnetic Properties of Equiatomic Quaternary Heusler Alloys CoZrTiZ (Z=Ga,Ge)
From: Department of Physics, Thiagarajar College of Engineering (Anna University), India
Abstract Title: An ab inito study on the Structural, Mechanical, Electronic and Magnetic Properties of Equiatomic Quaternary Heusler Alloys CoZrTiZ (Z=Ga,Ge)
From: Department of Physics, Thiagarajar College of Engineering (Anna University), India
Assoc. Prof. Rodion V.
Abstract Title: Theoretical study on functional defects and dopants in carbon-based nanomaterials
From: Institute for Materials Research, Tohoku University, Sendai, Japan
Abstract Title: Theoretical study on functional defects and dopants in carbon-based nanomaterials
From: Institute for Materials Research, Tohoku University, Sendai, Japan
Assoc. Prof. Talgat Inerbaev
Abstract Title: Local Ordering and Magnetostriction in Doped Fe-Ga Alloy
From: Laboratory of Computational Materials Science for Energy Application, National Laboratory Astana, Nazarbayev University, Astana, Kazakhstan
Abstract Title: Local Ordering and Magnetostriction in Doped Fe-Ga Alloy
From: Laboratory of Computational Materials Science for Energy Application, National Laboratory Astana, Nazarbayev University, Astana, Kazakhstan
Assoc. Prof. Dr.Khian-Hooi Chew
Abstract Title: First-principles Study on Photo-Energy Conversion Efficiency of CH3NH3PbI3/C60 Heterojunction Perovskite Solar Cells
From: Departments of Physics, University of Malaya, Malaysia
Abstract Title: First-principles Study on Photo-Energy Conversion Efficiency of CH3NH3PbI3/C60 Heterojunction Perovskite Solar Cells
From: Departments of Physics, University of Malaya, Malaysia
Assoc. Prof. Dr. Theerapong Puangmali
Abstract Title: Designing Smart Nanoparticles by Computational Nanotechnology for Biomedical Applications
From: Department of Physics, Faculty of Science, Khon Kaen University, Thailand
Abstract Title: Designing Smart Nanoparticles by Computational Nanotechnology for Biomedical Applications
From: Department of Physics, Faculty of Science, Khon Kaen University, Thailand
Asst. Prof. Jariyanee Prasongkit
Abstract Title: Ultra-fast DNA sequencing based on Mxenes
From: Faculty of Science, Nakhon Phanom University, Thailand
Abstract Title: Ultra-fast DNA sequencing based on Mxenes
From: Faculty of Science, Nakhon Phanom University, Thailand
Asst. Prof. Dr. Thanayut Kaewmaraya
Abstract Title: 2D Materials for Chemical Gas Sensing
From: Department of Physics, Faculty of Science, Khon Kaen University, Thailand
Abstract Title: 2D Materials for Chemical Gas Sensing
From: Department of Physics, Faculty of Science, Khon Kaen University, Thailand
Dr. Darwin Putungan
Abstract Title: From Surfaces to 2D materials to 2D van der Waals heterostructures: A Guided Density Functional Theory Calculations Tour of Hydrogen Evolution Reaction (HER)
From: Institute of Mathematical Sciences and Physics (IMSP), University of the Philippines Los Baños, Philippines
Abstract Title: From Surfaces to 2D materials to 2D van der Waals heterostructures: A Guided Density Functional Theory Calculations Tour of Hydrogen Evolution Reaction (HER)
From: Institute of Mathematical Sciences and Physics (IMSP), University of the Philippines Los Baños, Philippines
Dr.Narasak Pandech
Abstract Title: First-principles Study on Structural, Electronic, and Ferroelectric Properties of Hybrid ABX3 Perovskites (A = Cs+, CH3NH3+; B = Pb, Sn, Ge; X = I, Br, Cl
From: School of Physics, Suranaree University of Technology, Thailand
Abstract Title: First-principles Study on Structural, Electronic, and Ferroelectric Properties of Hybrid ABX3 Perovskites (A = Cs+, CH3NH3+; B = Pb, Sn, Ge; X = I, Br, Cl
From: School of Physics, Suranaree University of Technology, Thailand
Prof. Zhang Ting
Abstract Title: An ab-initio investigation of a hydrogen-based high-Tc superconductor stable under ambient environment
From: Department of Physics, The Hong Kong University of Science and Technology (HKUST), Hong Kong
Abstract Title: An ab-initio investigation of a hydrogen-based high-Tc superconductor stable under ambient environment
From: Department of Physics, The Hong Kong University of Science and Technology (HKUST), Hong Kong
Symposium Scope:
Computational Materials Science based on computer modeling and simulation is playing an increasingly important role in materials science research. It is the research field that researchers in the developing countries, when equipped with sufficient computational resources, have good opportunity to compete with the leading groups in the world and contribute to the development of science in the region. The Symposium is organized in order to promote certain emerging areas and to enhance on-going collaborations. This will be an international event for exchanging and archiving knowledge on the development of advanced computational methodology and its applications in materials science and engineering with the purpose of nurturing and promoting computational materials research. Symposium topics include but are not limited to:
• Materials Computational Methods
• Physics and Chemistry at low dimensions
• Nanostructures, Nano-Devices
• Multi-scale Modeling of Materials
• Oxides, Nitrides and related materials
• Defects and Doping in materials
• Materials for Renewable Energy
• Modeling of Materials Properties
• Materials under Extreme Conditions
• Spintronics and Multiferroic Materials
• Cluster Modeling and Molecular Dynamics
• Surface, Interface and Thin Films
• Micro-structure Modeling and Phase Transformation
• Optical and Spectroscopy Properties of Materials
• Surface, Interface and Thin Films
• Micro-structure Modeling and Phase Transformation
• Optical and Spectroscopy Properties of Materials
Symposia Chair
Prof. Yoshiyuki Kawazoe Tohoku University, JAPAN and Suranaree University of Technology, THAILAND
Symposia Co-Chair
1. Assoc. Prof. Dr. Sirichok Jungthawan Suranaree University of Technology, THAILAND
2. Dr. Ittipon Fongkaew Suranaree University of Technology, THAILAND
3. Assoc. Prof. Dr. Jiraroj T-Thienprasert Department of Physics, Faculty of Science, Kasetsart University,THAILAND
4. Asst. Prof. Dr. Adisak Boonchun Department of Physics, Faculty of Science, Kasetsart University, THAILAND
5. Asst. Prof. Dr. Pakpoom Reunchan Department of Physics, Faculty of Science, Kasetsart University, THAILAND
6. Asst. Prof. Dr. Jariyanee Prasongkit Department of Physics, Faculty of Science, Nakhon Phanom University, THAILAND
1. Assoc. Prof. Dr. Sirichok Jungthawan Suranaree University of Technology, THAILAND
2. Dr. Ittipon Fongkaew Suranaree University of Technology, THAILAND
3. Assoc. Prof. Dr. Jiraroj T-Thienprasert Department of Physics, Faculty of Science, Kasetsart University,THAILAND
4. Asst. Prof. Dr. Adisak Boonchun Department of Physics, Faculty of Science, Kasetsart University, THAILAND
5. Asst. Prof. Dr. Pakpoom Reunchan Department of Physics, Faculty of Science, Kasetsart University, THAILAND
6. Asst. Prof. Dr. Jariyanee Prasongkit Department of Physics, Faculty of Science, Nakhon Phanom University, THAILAND