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Multiscale Materials Modeling Laboratory
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Recent Publications
June 24, 2026
Solid State Sciences
180, 108407 (2026)
Local electronic band structure around ferroelectric domain wall in metastable HfO
2
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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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March 1, 2025
Computational Condensed Matter
42, e00997 (2025)
Magneto-optic and photocatalytic response of CuCrX
3
(X=Cl, Br, I) for energy storage applications
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