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Multiscale Materials Modeling Laboratory

Recent Publications

May 1, 2026

Applied Surface Science Advances

34, 100993 (2026)

Ferroelectric polarization and bandgap engineering in perovskite oxide via sulfur diffusion
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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

Solid State Communications

397, 115846 (2025)

Strain dependent physical properties of the lead-free perovoskite ZnZrO3 for energy device applications
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