Frontiers in 2D Perovskene: Tailoring ABC3 Perovskite Structures for Next-Generation Material Applications

Open-source first-principles computational toolkit for the efficient calculation of the strength of materials in 1D, 2D, and 3D materials at both zero and finite temperatures

Generative AI-based Software for Material Property and Database Generation

PHASEGO: A toolkit for automatic calculation and plot of phase diagram

First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures

A toolkit for automatic calculation and analysis of elastic constants