Current Professional Societies

Member of Beijing Overseas Talents Association (BOTA)

Research Areas

1. Energy catalytical materials design and calculation

2. First-principles calculation and the AI algorithm development

3. Molecular dynamics simulation and the development of Poisson Boltzmann algorithm

Honors

1. The 15th batch Beijing municipal young talents, 2020

2. LiDeShuRen excellent class supervisors of Beijing University of Technology, Nomination Award, 2022

3. Basic teaching skills competition for young teachers of faculty of Materials and Manufacturing of Beijing University of Technology, the second prize, 2019

Publications:

1. Kai-Ling Zhou, Changhao Wang^*, Zelin Wang, Chang-Bao Han^*, Qianqian Zhang, Xiaoxing Ke, Jingbing Liu, Hao Wang, Seamlessly conductive Co(OH)(2) tailored atomically dispersed Pt electrocatalyst with a hierarchical nanostructure for an efficient hydrogen evolution reaction, Energy & Environmental Science, 2020, 13：3082-3092.

2. Kai-Ling Zhou, Zelin Wang, Chang-Bao Han, Xiaoxing Ke, Changhao Wang, Yuhong Jin; Qianqian Zhang, Jingbing Liu, Hao Wang, Hui Yan, Platinum single-atom catalyst coupled with transition metal/metal oxide heterostructure for accelerating alkaline hydrogen evolution reaction, Nature Communications, 2021, 12(1): 3783.

3. Changhao Wang, D'Artagnan Greene, Li Xiao, Ruxi Qi, Ray Luo^*, Recent Developments and Applications of the MMPBSA Method, Frontiers in Molecular Biosciences, 2018, 4: 87.

4. Changhao Wang, Peter H. Nguyen, Kevin Pham, Danielle Huynh, Thanh-Binh Nancy Le, Hongli Wang, Pengyu Ren, Ray Luo^*, Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis, Journal of Computational Chemistry, 2016, 37(27): 2436-2446.

5. Changhao Wang, Pengyu Ren, Ray Luo^*, Ionic Solution: What Goes Right and Wrong with Continuum Solvation Modeling, Journal of Physical Chemistry B, 2017, 121(49): 11169-11179.

Personal Statement

I got my bachelor degree for physics in Beijing Normal University, 2010. And I got my Ph.D. degree for physics in University of California-Irvine (UCI), 2017. My research interests are in the general area of computational physics, chemistry and biophysics using the method of first-principles calculations and molecular dynamics. I am particularly interested in machine-learning applications for catalytical mechanism study, novel materials structural and electronic properties prediction, surface/interface absorption interaction simulations, and computational analysis of biomolecular energetics and dynamics.