物理學院“博約學術論壇”系列報告第 151 期 (2018年第13期)
題目: Non-Adiabatic Molecular Dynamics Investigations on the Excited
報告人:趙瑾 教授(中國科學技術大學)
時 間:2018年5月11日(周五) 下午2:00
地 點:北京理工大學中心教學樓610
摘要:
The ultrafast dynamics of photo-excited charge carriers in condensed matter systems plays an important role in optoelectronics and solar energy conversion. Yet it is challenging to understand the multi-dimensional dynamics in time, energy, real and momentum spaces at the atomic scale. Combining the real-time time-dependent Density Functional Theory (TDDFT) with fewest surface hopping scheme, we use homemade time-dependent ab initio nonadiabatic molecular dynamics code (Hefei-NAMD) to simulate the excited carrier dynamics in different condensed matter systems including two-dimensional vdW heterostructures and molecule/metal oxide interfaces. The time-dependent dynamics of excited carriers are studied in energy, real and momentum spaces. In addition, the coupling of the excited carriers with phonons, polarons, defects and molecular adsorptions are investigated. Recently, by combining with path-integral techniques, the nuclear quantum effects have been included in the NAMD simulations. Our state of art NAMD studies provide an atomic insight into the ultrafast dynamics of the excited carriers in condensed matter systems.
簡歷:
趙瑾,1998 年畢業(yè)于中國科學技術大學物理系,2003 年于中國科學技術大學理化科學中心獲得博士學位(指導教師:侯建國院士,,楊金龍教授),。2004 年3 月起在美國匹茲堡大學Hrvoje Petek教授組內(nèi)工作。2008 年8 月起成為匹茲堡大學物理系研究助理教授,,2010 年初成為中國科學技術大學物理系及合肥微尺度國家實驗室教授,匹茲堡大學兼職教授(adjunct Prof.),并入選百人計劃,。2013年獲基金委優(yōu)秀青年基金資助。趙瑾教授的研究小組關注于利用第一性原理計算從時間,、空間,、動量與能量等多個尺度對激發(fā)態(tài)動力學的超快過程進行描述,同時研究激發(fā)態(tài)載流子與聲子,、極化子,、缺陷、邊界等的相互作用,。迄今為止趙瑾教授共發(fā)表SCI論文76篇,,包括3篇Science,,1篇Nature Photonics, 5篇Phys. Rev. Lett., 2篇Chem. Rev.,1篇Acc. Chem. Res.,,1篇Annu. Rev. Phys. Chem.,,6篇J. Am. Chem. Soc.,4篇Nano Lett.,,7篇ACS NANO,,2篇Nature Communications,16篇Phys. Rev. B等,。他引次數(shù)2000余次,,H因子為28。
聯(lián)系方式:物理學院辦公室 (68913163)
邀請人:李元昌
網(wǎng) 址:http://physics.bit.edu.cn/