Heusler alloys, discovered serendipitously at the beginning of the twentieth century, have
emerged in the twenty-first century as exciting materials for numerous remarkable functional …

Data‐driven science is heralded as a new paradigm in materials science. In this field, data is
the new resource, and knowledge is extracted from materials datasets that are too big or …

非晶态物质是复杂的多体相互作用体系, 其基本特征是原子和电子结构复杂, 微观结构长程无序,
体系在能量上处在亚稳态, 具有复杂的多重弛豫行为, 其物理, 化学和力学性质 …

Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …

Abstract The Materials Genome Initiative (MGI) advanced a new paradigm for materials
discovery and design, namely that the pace of new materials deployment could be …

A very active area of materials research is to devise methods that use machine learning to
automatically extract predictive models from existing materials data. While prior examples …

The first-principles band theory paradigm has been a key player not only in the process of
discovering new classes of topologically interesting materials, but also for identifying salient …

Nanoparticles have become a vital part of a vast number of established processes and
products; they are used as catalysts, in cosmetics, and even by the pharmaceutical industry …

The all-solid-state lithium-ion battery is a promising next-generation battery technology.
However, the realization of all-solid-state batteries is impeded by limited understanding of …

Quantum spin Hall (QSH) effect materials feature edge states that are topologically protected
from backscattering. However, the small band gap in materials that have been identified as …