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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    • First-Principles Thermal Transport
    • PULGON Project
    • Symmetry-Based Materials Design
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PULGON Project

Jul 12, 2023 · 0 min read
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Last updated on Jul 12, 2023
PhD Materials Science Phonons Nanomaterials Symmetry Python
Yujie Cen
Authors
Yujie Cen
PhD Candidate in Materials Chemistry
PhD Candidate in Materials Chemistry at TU Wien, specializing in computational thermal transport and first-principles methods for materials research.
← First-Principles Thermal Transport Jul 12, 2023
Symmetry-Based Materials Design Sep 1, 2020 →

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

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