Welcome to M3L!

Multiscale Materials Modeling Laboratory

Recent Publications

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
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March 1, 2025

Solid State Communications

397, 115846 (2025)


Strain dependent physical properties of the lead-free perovoskite ZnZrO3 for energy device applications
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Nov. 30, 2023

Physical Chemistry Chemical Physics

26 (1), 602-611 (2023)


Prediction of novel ground-state structures and analysis of phonon transport in two-dimensional GexSy compounds
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