Welcome to M3L!

Multiscale Materials Modeling Laboratory

Recent Publications

March 1, 2025

Computational Condensed Matter

42, e00997 (2025)


Magneto-optic and photocatalytic response of CuCrX3 (X=Cl, Br, I) for energy storage applications
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Nov. 5, 2024

ACS Applied Electronic materials

6 (11), 8328-8338 (2024)


Defect Engineering of Ferroelectric Hysteresis in Lead-Free Bi1/2(Na,K)1/2TiO3 Thin Films
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April 1, 2024

Physica B

682, 415916 (2024)


A computational approach to study the halides-based double perovskites Cs2InAuX6 (X=Cl, Br) for low-cost energy technologies
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