题目：2D Materials and Their Heterostructures: Grand Challenges for Theory
报告人：Prof. Dr. Thomas Heine, Chair of Theoretical Chemistry, TU Dresden, Germany
时间：2023年7月20号(周四)上午10:00-12:00
地点：九龙湖校区田家炳楼南203
邀请人：王金兰 教授
Abstract:
2D materials, such as graphene, transition metal dichalcogenides and other 2D crystals as well as 2D polymers and MOFenes have become extremely popular in materials science as they may revolutionize tomorrow’s chemistry and physics. The demand for theory is very high as popular methods to gain understanding in the structure-property relations fail (most importantly PXRD). Theory, on the other hand, faces a lot of challenges including the establishment of adequate structure models, limitations of the computational accuracy of popular methods such as DFT, and extremely large system sizes. In this talk, I will share some tricks of the trade that have been developed in my group over the past decade.
Biography:
Prof. Thomas Heine is the Fellow of the Royal Society of Chemistry and the Member of the Academia Europaea. He currently serves as the chair of Theoretical Chemistry of TU Dresden and the head of Theoretical Chemistry group of Helmholtz Center Dresden-Rossendorf, Research Site Leipzig, Germany. He received his PhD in Physics at TU Dresden in 1999 and obtained his venia legendi in Physical Chemistry at TU Dresden in 2006. He started his research group at Jacobs University Bremen in 2007 and was promoted to Full Professor in 2011. He was appointed as the Chair of Theoretical Chemistry at Leipzig University from 2015 to 2018 and then moved to his current position. Prof. Thomas Heine has so far published more than 360 scientific articles in peer-reviewed journals with total citations over 34, 000 times and h-index of 98, and has been recognized as the Clarivate Web of Science Highly Cited Researcher (Cross Field). He has also authored 1 textbook in computational chemistry and more than 10 book chapters in related fields.