Yujie Cen
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  • Publications
    • Ab-initio heat transport in defect-laden quasi-1D systems from a symmetry-adapted perspective
    • Accelerating first-principles molecular-dynamics thermal conductivity calculations for complex systems
    • Accelerating Green-Kubo heat transport simulations for quasi-1D systems using highly accurate machine-learned force fields
    • Accelerating the identification of stable configurations in mixed-anion perovskite materials
    • Residual entropy of ice: A study based on transfer matrices
    • Residual Entropy of Hexagonal Ice and Cubic Ice: A Transfer Matrix Description
    • High Concentration Intrinsic Defects in MnSb2Te4
    • Determining ground states of alloys by a symmetry-based classification
    • Theoretical study of magnetic phase transition in La23M13MnO3 (M= Ca, Sr) membranes through strain and doping
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Ab-initio heat transport in defect-laden quasi-1D systems from a symmetry-adapted perspective

Jan 1, 2026·
Yujie Cen
,
S Wieser
,
GKH Madsen
,
J Carrete
· 0 min read
Type
2
Publication
npj Computational Materials, 12(1), 19
publications
Last updated on Jan 1, 2026
Thermal Transport DFT Nanomaterials Defects Symmetry
Authors
Yujie Cen
Authors
S Wieser
Authors
GKH Madsen
Authors
J Carrete
Accelerating first-principles molecular-dynamics thermal conductivity calculations for complex systems Jan 1, 2025 →

© 2026 Yujie Cen. This work is licensed under CC BY NC ND 4.0

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