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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May 21, 2024

Optical and Quantum Electronics

56, 1094 (2024)


Optoelectronic and thermoelectric response of lead free halide double perovskites Rb2AgPX6 (X=Cl, Br, I) for energy storage applications
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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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