☰ Chemistry Tree

Xiao He

Affiliations:	2006-2010	Chemistry	University of Florida, Gainesville, Gainesville, FL, United States
	2011-2012	Chemistry	University of Illinois, Urbana-Champaign, Urbana-Champaign, IL
	2012-	State Key Laboratory for Precision Spectroscopy	East China Normal University, Shanghai, Shanghai Shi, China

Website:

http://faculty.ecnu.edu.cn/s/3005/t/31597/main.jspy

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Parents

Donald G. Truhlar	research assistant	2014-2015	UMN
Kenneth M. Merz, Jr.	grad student	2006-2010	UF Gainesville
(Linear-scaling methodology in large-scale ab initio electronic structure calculations and applications in biological studies.)
So Hirata	post-doc	2011-2012	UIUC

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Liu Y, Zhang C, Liu Z, et al. (2022) Supervised learning of a chemistry functional with damped dispersion. Nature Computational Science. 3: 48-58
Zhang C, Verma P, Wang J, et al. (2022) Performance of Screened-Exchange Functionals for Band Gaps and Lattice Constants of Crystals. Journal of Chemical Theory and Computation
Long B, Wang Y, Xia Y, et al. (2021) Atmospheric Kinetics: Bimolecular Reactions of Carbonyl Oxide by a Triple-Level Strategy. Journal of the American Chemical Society
Hao X, Liu J, Ali I, et al. (2021) Ab initio determination of crystal stability of di-p-tolyl disulfide. Scientific Reports. 11: 7076
Jin X, Glover WJ, He X. (2020) Fragment Quantum Mechanical Method for Excited States of Proteins: Development and Application to the Green Fluorescent Protein. Journal of Chemical Theory and Computation
Liu J, He X. (2020) Fragment-based quantum mechanical approach to biomolecules, molecular clusters, molecular crystals and liquids. Physical Chemistry Chemical Physics : Pccp
Huang L, Han Y, Liu J, et al. (2020) Ab Initio Prediction of the Phase Transition for Solid Ammonia at High Pressures. Scientific Reports. 10: 7546
Wang Z, Han Y, Li J, et al. (2020) Combining the Fragmentation Approach and Neural Network Potential Energy Surfaces of Fragments for Accurate Calculation of Protein Energy. The Journal of Physical Chemistry. B
Li H, Zhang W, Liu J, et al. (2020) Quantitative Prediction of Aggregation-Induced Emission: A Full Quantum Mechanical Approach to the Optical Spectra. Angewandte Chemie (International Ed. in English)
Liu J, He X. (2020) QM Implementation in Drug Design: Does It Really Help? Methods in Molecular Biology (Clifton, N.J.). 2114: 19-35

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