Welcome to M3L!

Multiscale Materials Modeling Laboratory

Recent Publications

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
More Info

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)
More Info

April 5, 2025

Journal of Alloys and Compounds

1021, 179495 (2025)

Exploring the imprint effect of oxygen-deficient PbTiO3 thin films on energy storage characteristics of ferroelectric capacitors
More Info