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quantum chemistry, XAS/XES/XPS, ultrafast nonlinear x-ray spectroscopy, photochemistry, MD
China

Biography

My RESEARCH INTEREST lies in theoretical X-ray science. More specifically, to study structure and ultrafast dynamics in molecules and materials by using various steady-state and time-resolved X-ray spectroscopies. This includes simulation of traditional (NEXAFS, XES, XPS, RIXS) & ultrafast nonlinear X-ray spectroscopies of molecules, bio- and nano-materials by combing quantum chemistry, solid state physics, nonlinear optics, and molecular dynamics.

I was born in Jiangsu, China in 1982. Had B.S. in Chemistry in 2004 in Nanjing University, China. Got two PhDs in theoretical chemistry from Nanjing University (2010, Chemistry) and KTH Royal Institute of Technology, Sweden (2011, Biotechnology), jointly supervised by Profs. Shuhua Li and Yi Luo. Then, did postdoc with Prof. Yi Luo at KTH (2011-2013,2015-2016) and Prof. Shaul Mukamel in University of California, Irvine (2013-2015). Recruited as professor in Nanjing University of Science and Technology, China in the Department of Applied Physics via a university-level "young talent plan" in the end of 2016. Published more than 30 papers in chemistry and physics including 4 reviews, which received more than 800 citations and with h-index 13. Principal author or co-author of 4 spectroscopy-related computational packages.

Recent research contributions include introducing multi-configurational methods for ultrafast nonlinear X-ray spectroscopy simulations, which gives a much improved accuracy than density functional theory (DFT) methods routinely used for about a decade in this area. With this improvement, one can thus study more than the ground-state geometry. We extended nonlinear X-ray spectroscopy studies for photochemistry and introduced a new attosecond stimulated X-ray Raman spectroscopy that can see the passage of conical intersections more closely than current methods (Struct. Dyn. 2016, 3, 023601). This work was one of the "Most-Read Articles"of journal in 2016. We also used this method to study double core hole states and four-wave-mixing novel signals, which guarantees correct physical picture (for example, denied the possible resonances predicted by DFT) (Chem. Sci. 2016, 7, 5922). More details can be found in our recent reviews (Top. Curr. Chem. 2016, 368, 273; Phys. Scr. 2016, T169, 014002).

Activities

Employment (4)

Nanjing University of Science and Technology: Nanjing, Jiangsu, CN

2016-12 to present | Professor (Department of Applied Physics)
Employment
Source: Self-asserted source
Weijie Hua

KTH Royal Institute of Technology: Stockholm, SE

2015-05 to 2016-12 | Postdoc (Department of Theoretical Chemistry, School of Biotechnology)
Employment
Source: Self-asserted source
Weijie Hua

University of California Irvine: Irvine, CA, US

2013-04-01 to 2015-04-07 | PostDoc (Department of Chemsitry)
Employment
Source: Self-asserted source
Weijie Hua

KTH Royal Institute of Technology: Stockholm, SE

2011-05-01 to 2013-03 | Postdoc (Department of Theoretical Chemistry, School of Biotechnology)
Employment
Source: Self-asserted source
Weijie Hua

Education and qualifications (3)

KTH Royal Institute of Technology: Stockholm, SE

2007-12-01 to 2011-04-28 | PhD (Department of Theoretical Chemistry, School of Biotechnology)
Education
Source: Self-asserted source
Weijie Hua

Nanjing University: Nanjing, Jiangsu, CN

2004-09-01 to 2010-12-28 | PhD (Institute of Theoretical and Computational Chemistry)
Education
Source: Self-asserted source
Weijie Hua

Nanjing University: Nanjing, Jiangsu, CN

2000-09-01 to 2004-06-20 | Bachelor of Science (Department of Chemistry)
Education
Source: Self-asserted source
Weijie Hua

Peer review (15 reviews for 9 publications/grants)

Review activity for Chemistry. (2)
Review activity for Indian Journal of Physics. (1)
Review activity for Journal of molecular liquids. (3)
Review activity for Materials and design. (1)
Review activity for Progress in Natural Science. (1)
Review activity for Small methods (1)
Review activity for Surfaces and interfaces. (1)
Review activity for The journal of physical chemistry letters. (2)
Review activity for The journal of physical chemistry. (3)