Qi An, Ph.D.

Affiliations: 
2012 Materials Science California Institute of Technology, Pasadena, CA 
Area:
Theoretical chemistry
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"Qi An"
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William A. Goddard grad student 2012 Caltech
 (Atomistic Simulations of Material Properties under Extreme Conditions.)
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Publications

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Fuller J, An Q, Fortunelli A, et al. (2022) Reaction Mechanisms, Kinetics, and Improved Catalysts for Ammonia Synthesis from Hierarchical High Throughput Catalyst Design. Accounts of Chemical Research
An Q, Johnson WL, Samwer K, et al. (2021) The L-G phase transition in binary Cu-Zr metallic liquids. Physical Chemistry Chemical Physics : Pccp. 24: 497-506
Lindley SA, An Q, Goddard WA, et al. (2021) Spatiotemporal Temperature and Pressure in Thermoplasmonic Gold Nanosphere-Water Systems. Acs Nano
Karre R, Guo D, Song S, et al. (2021) Vacancy-driven shear localization in silicon nitride Scripta Materialia. 190: 163-167
An Q, McDonald M, Fortunelli A, et al. (2020) Controlling the Shapes of Nanoparticles by Dopant-Induced Enhancement of Chemisorption and Catalytic Activity: Application to Fe-Based Ammonia Synthesis. Acs Nano
An Q, Mcdonald M, Fortunelli A, et al. (2020) Si-doped Fe Catalyst for Ammonia Synthesis at Dramatically Decreased Pressures and Temperatures. Journal of the American Chemical Society
An Q, Johnson WL, Samwer K, et al. (2020) First Order Phase Transition in Liquid Ag to the Heterogeneous G-Phase. The Journal of Physical Chemistry Letters
Guo D, Zybin SV, Goddard WA, et al. (2020) Enhancing the Detonation Properties of Liquid Nitromethane by Adding Nitro-Rich Molecule Nitryl Cyanide The Journal of Physical Chemistry C. 124: 9787-9794
Li G, An Q, Aydemir U, et al. (2020) Intrinsic mechanical behavior of MgAgSb thermoelectric material: An ab initio study Journal of Materiomics. 6: 24-32
He Y, Shen Y, Tang B, et al. (2020) Enhanced strength and ductility of superhard boron carbide through injecting electrons Journal of the European Ceramic Society. 40: 4428-4435
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