Welcome to M3L!

Multiscale Materials Modeling Laboratory

Recent Publications

June 3, 2025

ACS Applied Energy Materials

8 (12), 8056-8065 (2025)

Exploring Ultralow Lattice Thermal Conductivity in a 2D Hexagonal Structure of M3Te2 (M = Zn, Cd, and Hg)
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Nov. 7, 2024

Computational Condensed Matter

41, e00973 (2024)

Doping dependent magnetic and thermoelectric response of perovskite BaGeO3 for spintronics and energy 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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