基本信息
浏览量:93
职业迁徙
个人简介
Charge transport and energy transfer in advanced materials
In recent years, researches focusing on advanced materials and on molecular level of understanding in biological systems have attracted a lot of attention.One class of important reactions in these areas is the electron transfer (ET) process. Understanding of the corresponding electronic coupling becomes important since the coupling is an important parameter in the ET rate expression in the weak-coupling limit. Theoretical determination of ET coupling does not only provide a route to deeply understand the ET process, but also offers crucial hints to the designing of new functional molecules.
Electronic coupling is an important factor in the ET rate constant, in the weak-coupling limit.We have developed several new methods in calculating ET coupling and applied them to functional organic molecules.Besides we are also interested in excitation energy transfer (EET), where excitation energy between two molecules/fragments is exchanged.The singlet-singlet EET is widely known as Forster’s dipole-dipole interaction.We have recently studied the triplet-triplet EET, which is similar to the Dexter’s exchange coupling.For the first time, ab initio triplet-triplet exchange coupling is calculated and reported.Our results offers the basis to understand previous experimental observation without additional mechanisms.
Dynamic description of biological systems
With our experiences in computational chemistry, we have developed tools for simulating and describing molecular biology at the systems level.By cooperating with experimentalists, we offer conclusions derived from mathematics and computer simulations, and therefore the understanding of biological problems is enhanced.
研究兴趣
论文共 151 篇作者统计合作学者相似作者
按年份排序按引用量排序主题筛选期刊级别筛选合作者筛选合作机构筛选
时间
引用量
主题
期刊级别
合作者
合作机构
Journal of chemical theory and computation (2024)
Po-Yin Chen, Yung-Chih Chen, Po-Pang Chen, Kuan-Ting Lin, Karen Sargsyan,Chao-Ping Hsu,Wei-Le Wang,Kuo-Chiang Hsia,See-Yeun Ting
NATURE COMMUNICATIONSno. 1 (2024)
The journal of physical chemistry letterspp.6126-6136, (2024)
The journal of physical chemistry. Ano. 32 (2024): 6798-6805
Exploring Chemical Concepts Through Theory and Computationpp.317-334, (2024)
The journal of physical chemistry A/The journal of physical chemistry A (2023)
JOURNAL OF THE CHINESE CHEMICAL SOCIETYno. 3 (2023): 747-758
Journal of chemical physics online/The Journal of chemical physics/Journal of chemical physicsno. 3 (2023)
Biomaterials advances (2023): 213431-213431
加载更多
作者统计
#Papers: 147
#Citation: 11703
H-Index: 38
G-Index: 108
Sociability: 7
Diversity: 0
Activity: 2
合作学者
合作机构
D-Core
- 合作者
- 学生
- 导师
数据免责声明
页面数据均来自互联网公开来源、合作出版商和通过AI技术自动分析结果,我们不对页面数据的有效性、准确性、正确性、可靠性、完整性和及时性做出任何承诺和保证。若有疑问,可以通过电子邮件方式联系我们:report@aminer.cn