Shuxiang Zhou

Materials Science · Physical Sciences

9h-index321citations40works1.62yr avg
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Research Topics

Nuclear Materials and Properties(21), Nuclear reactor physics and engineering(11), Radioactive element chemistry and processing(7), Thermal properties of materials(7), Machine Learning in Materials Science(7)

Publications40 total

Vibrational and Electronic Properties of Np2O5 from Experimental Spectroscopy and First Principles Calculations
arXiv (Cornell University)·2026Open Access
Vibrational and Electronic Properties of Np2O5 from Experimental Spectroscopy and First Principles Calculations
ArXiv.org·2026Open Access
The stability and topological behaviors in lanthanide antiperovskite nitrides: a high-throughput study
arXiv (Cornell University)·2025Open Access
Extremely large magnetoresistance and de Haas–van Alphen effect in the kagome compound Ni3In2Se2
Journal of Alloys and Compounds·2025
Impact of dynamic Jahn-Teller effect on magnetic excitations, lattice vibration, and thermal conductivity in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi mathvariant="normal">U</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:mi mathvariant="normal">T</mml:mi><mml:msub><mml:mi mathvariant="normal">h</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> system
Physical Review Materials·2025· 1 cited
Parameterizing empirical interatomic potentials for predicting thermophysical properties via an irreducible derivative approach: the case of ThO<sub>2</sub> and UO<sub>2</sub>
Journal of Physics Condensed Matter·2025· 2 citedOpen Access
Xenon–metal pair formation in UO2 investigated using DFT + <i>U</i>
Journal of Applied Physics·2025· 1 citedOpen Access
Impact of dynamic Jahn-Teller effect on magnetic excitations, lattice vibration, and thermal conductivity in UxTh1-xO2 system
arXiv (Cornell University)·2024Open Access
Efficient spectrally-resolved electron transport for thermal property prediction
Results in Engineering·2024Open Access
Xenon-metal pair formation in UO2 investigated using DFT+U
arXiv (Cornell University)·2024Open Access
Impacts of point defects on shallow doping in cubic boron arsenide: A first principles study
Computational Materials Science·2024· 6 citedOpen Access
Impact of classical statistics on thermal conductivity predictions of BAs and diamond using machine learning molecular dynamics
Applied Physics Letters·2024· 4 citedOpen Access
Establishing the temperature and orientation dependence of the threshold displacement energy in ThO2 via molecular dynamics simulations
Nuclear Materials and Energy·2024Open Access
Optical pulse-induced ultrafast antiferrodistortive transition in SrTiO3
Applied Physics Reviews·2024· 1 citedOpen Access
Impacts of Point Defects on Shallow Doping in Cubic Boron Arsenide: A First Principles Study
arXiv (Cornell University)·2024Open Access
Phonon Thermal Transport in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>UO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math> via Self-Consistent Perturbation Theory
Physical Review Letters·2024· 8 citedOpen Access
First-principles determination of the phonon-point defect scattering and thermal transport due to fission products in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>ThO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>
Physical Review Materials·2024· 5 citedOpen Access
Efficient Spectrally-Resolved Electron Transport for Thermal Property Prediction
SSRN Electronic Journal·2024Open Access
Extreme sensitivity of higher-order interatomic force constants and thermal conductivity to the energy surface roughness of exchange-correlation functionals
Applied Physics Letters·2023· 26 citedOpen Access
Phonon thermal transport in UO$_2$ via self-consistent perturbation theory
arXiv (Cornell University)·2023Open Access
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Frequent Co-authors

David H. Hurley(14), Chao Jiang(10), Marat Khafizov(10), Chris A. Marianetti(9), Krzysztof Gofryk(7), Michael E. Manley(7), Zilong Hua(6), Enda Xiao(6), Dane Morgan(6), Jackson Harter(5), Sebastian Schunert(5), Andrea Jokisaari(5), Hao Zhou(4), Kaustubh Bawane(4), Tianli Feng(4), Hao Ma(4), Miaomiao Jin(4), Yongfeng Zhang(4), Linu Malakkal(4), Saqeeb Adnan(4)