Welcome to M3L!

Multiscale Materials Modeling Laboratory

Recent Publications

June 24, 2026

Solid State Sciences

180, 108407 (2026)


Local electronic band structure around ferroelectric domain wall in metastable HfO2
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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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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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