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Multiscale Materials Modeling Laboratory

Recent Publications

June 24, 2026

Solid State Sciences

180, 108407 (2026)


Local electronic band structure around ferroelectric domain wall in metastable HfO2
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Nov. 25, 2025

RSC Advances

15, 47282-47290 (2025)


A computational insight of the physical properties of MoSX (X= Cl, Br, I) for green energy applications
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April 5, 2025

Journal of Alloys and Compounds

1021, 179495 (2025)


Exploring the imprint effect of oxygen-deficient PbTiO3 thin films on energy storage characteristics of ferroelectric capacitors
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