In this paper, we demonstrate an application of the Transformer self-attention mechanism in
the context of materials science. Our network, the Compositionally Restricted Attention …

The development of structural materials with outstanding mechanical response has long
been sought for innumerable industrial, technological, and even biomedical applications …

Transition‐metal light‐element compounds show superb mechanical, chemical, and thermal
properties, and accurate descriptors are important to sorting targeted properties among this …

The superhard ReB2 system is the hardest pure phase diboride synthesized to date.
Previously, we have demonstrated the synthesis of nano-ReB2 and the use of this …

Despite recent breakthroughs in deep learning for materials informatics, there exists a
disparity between their popularity in academic research and their limited adoption in the …

Applications of machine learning, and machine learning-based models in materials
chemistry, are a rapidly growing area of research. Traditional methods of exploration are …

The molecular education and research consortium in undergraduate computational
chemistry (MERCURY) consortium, established in 2000, has contributed greatly to the …

Transition metal carbides (TMCs), especially molybdenum carbide (Mo 2 C), represent an
economical and attractive alternative to precious noble metal catalysts for processes …

Rhenium diboride (ReB 2) exhibits high differential strain due to its puckered boron sheets
that impede shear deformation. Here, we demonstrate the use of solid solution formation to …

Single-phase polycrystalline Mo 2 BC ceramic bulks were synthesized successfully from
molybdenum, boron, and graphite powders using the spark plasma sintering method …