The exploration of superhard materials has seen significant advances through the integration of experimental techniques and first-principles calculations. Such computational methods, based on quantum ...

Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a comprehensive review of artificial intelligence (AI) techniques integrated ...

Gas sensing material screening faces challenges due to costly trial-and-error methods and the complexity of multi-parameter ...

The study of magnetic properties in semiconductors using first-principles calculations has emerged as a pivotal area in material science, merging fundamental quantum mechanical theories with advanced ...