Chenyu Zou
Chenyu Zou
PhD Mech Engr, Seismic imager at CGGVeritas
Verified email at
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Reactive potentials for advanced atomistic simulations
T Liang, YK Shin, YT Cheng, DE Yilmaz, KG Vishnu, O Verners, C Zou, ...
Annual review of materials research 43, 109-129, 2013
Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field
C Zou, YK Shin, ACT Van Duin, H Fang, ZK Liu
Acta Materialia 83, 102-112, 2015
Peel-and-stick: mechanism study for efficient fabrication of flexible/transparent thin-film electronics
CH Lee, JH Kim, C Zou, IS Cho, JM Weisse, W Nemeth, Q Wang, ...
Scientific reports 3 (1), 1-6, 2013
Development and validation of a ReaxFF reactive force field for Fe/Al/Ni alloys: Molecular dynamics study of elastic constants, diffusion, and segregation
YK Shin, H Kwak, C Zou, AV Vasenkov, ACT Van Duin
The Journal of Physical Chemistry A 116 (49), 12163-12174, 2012
Theoretical investigation of hydrogen adsorption and dissociation on iron and iron carbide surfaces using the ReaxFF reactive force field method
C Zou, ACT Van Duin, DC Sorescu
Topics in Catalysis 55 (5), 391-401, 2012
Interactions of hydrogen with the iron and iron carbide interfaces: a ReaxFF molecular dynamics study
MM Islam, C Zou, ACT Van Duin, S Raman
Physical Chemistry Chemical Physics 18 (2), 761-771, 2016
A Reaxff reactive force-field for proton transfer reactions in bulk water and its applications to heterogeneous catalysis
ACT van Duin, C Zou, K Joshi, V Bryantsev, WA Goddard
Computational Catalysis 14, 223, 2013
Investigation of complex iron surface catalytic chemistry using the ReaxFF reactive force field method
C Zou, A Van Duin
Jom 64 (12), 1426-1437, 2012
Molecular dynamics investigation of the effects of tip–substrate interactions during nanoindentation
F Tavazza, TP Senftle, C Zou, CA Becker, ACT Van Duin
The Journal of Physical Chemistry C 119 (24), 13580-13589, 2015
First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques
HZ Fang, SL Shang, Y Wang, ZK Liu, D Alfonso, DE Alman, YK Shin, ...
Journal of Applied Physics 115 (4), 043501, 2014
Large Scale Reactive Molecular Dynamics Simulation and Kinetic Modeling of High Temperature Pyrolysis of the Gloeocapsomorphaprisca Microfossils
C Zou, S Raman, ACT van Duin
The Journal of Physical Chemistry B 118 (23), 6302–6315, 2014
Computational Catalysis
Royal Society of Chemistry Staff
Royal Society of Chemistry, 2013
Development and application of the Reaxff potential for heterogeneous catalysis and metal oxidation: Toward the dynamic sampling of large free energy surface
C Zou
The Pennsylvania State University, 2014
Development and application of a ReaxFF description for formation of hydrocarbons on iron and iron carbide Fisher-Tropsch catalysts
C Zou, A Van Duin, DC Sorescu
2011 AIChE Annual Meeting, 11AIChE, 2011
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