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List of works by Ruoshi Sun

Automating impurity-enhanced antiphase boundary energy calculations from ab initio Monte Carlo

Coordination-dependent surface atomic contraction in nanocrystals revealed by coherent diffraction

scientific article published on 9 March 2008

Elegy

Epicycle method for elasticity limit calculations

scholarly article in Physical Review B, vol. 95 no. 14, April 2017

Feasibility of band gap engineering of pyrite FeS2

scholarly article in Physical Review B, vol. 84 no. 24, December 2011

First-principles electronic structure and relative stability of pyrite and marcasite: Implications for photovoltaic performance

scholarly article in Physical Review B, vol. 83 no. 23, June 2011

First-principles study on Ni3Al (111) antiphase boundary with Ti and Hf impurities

scholarly article in Physical Review B, vol. 95 no. 21, June 2017

HPC Container Management at the University of Virginia

scientific article published on 18 July 2024

Intrinsic stoichiometry and oxygen-inducedp-type conductivity of pyrite FeS2

scholarly article in Physical Review B, vol. 84 no. 3, July 2011

Low intensity conduction states in FeS2: implications for absorption, open-circuit voltage and surface recombination

scientific article

Software tools for high-throughput CALPHAD from first-principles data

Stability maps to predict anomalous ductility in B2 materials

scholarly article in Physical Review B, vol. 87 no. 10, March 2013

The free energy of mechanically unstable phases.

scientific article published in July 2015

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