113學年材料所-第十五週 專題研討課程 演講公告 (113年12月19日)
2024.12.10
題目: Computational-Driven Material Discovery and Design
演講者: 簡思佳 助理教授
現職: 國立中央大學 化學工程與材料工程學系 副教授
時間: 113年12月19日(四) 下午15:10~17:00
地點: 成功大學成功校區三系館 鋼構區(3F)共同教室A1302演講廳
演講摘要:
Computational methods are extensively applied in the field of materials science recently. This talk will focus on our recent efforts in applying different computational methods to study energy-related materials. Specifically, it will cover the use of density functional theory (DFT) calculations to design MXenes for anode materials in Li-ion batteries, as well as identifying the optimal composition of ternary SiGeSn alloys for advanced thermoelectric materials. Additionally, this talk will discuss the improvements to the current methods for determining the surface area and pore size distribution of porous materials using Monte Carlo simulations and machine learning techniques.
歡迎各位撥冗參加!!
演講者: 簡思佳 助理教授
現職: 國立中央大學 化學工程與材料工程學系 副教授
時間: 113年12月19日(四) 下午15:10~17:00
地點: 成功大學成功校區三系館 鋼構區(3F)共同教室A1302演講廳
演講摘要:
Computational methods are extensively applied in the field of materials science recently. This talk will focus on our recent efforts in applying different computational methods to study energy-related materials. Specifically, it will cover the use of density functional theory (DFT) calculations to design MXenes for anode materials in Li-ion batteries, as well as identifying the optimal composition of ternary SiGeSn alloys for advanced thermoelectric materials. Additionally, this talk will discuss the improvements to the current methods for determining the surface area and pore size distribution of porous materials using Monte Carlo simulations and machine learning techniques.
歡迎各位撥冗參加!!