Welcome to M3L!

Multiscale Materials Modeling Laboratory

Recent Publications

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
More Info

May 26, 2023

ACS Applied Materials & Interfaces

15 (23), 27995-28007 (2023)


Enhanced Hydrogen Evolution Performance at the Lateral Interface between Two Layered Materials Predicted with Machine Learning
More Info

May 4, 2023

Materials Today Communication

35, 106124 (2023)


Defects Mediated Electronic and Magnetic Properties of Monolayer Janus SnSSe
More Info