Heusler alloys: Past, properties, new alloys, and prospects
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 …
emerged in the twenty-first century as exciting materials for numerous remarkable functional …
Data‐driven materials science: status, challenges, and perspectives
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 …
the new resource, and knowledge is extracted from materials datasets that are too big or …
From DFT to machine learning: recent approaches to materials science–a review
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 …
and complexity of generated data. This massive amount of raw data needs to be stored and …
New frontiers for the materials genome initiative
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 …
discovery and design, namely that the pace of new materials deployment could be …
A general-purpose machine learning framework for predicting properties of inorganic materials
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 …
automatically extract predictive models from existing materials data. While prior examples …
Colloquium: Topological band theory
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 …
discovering new classes of topologically interesting materials, but also for identifying salient …
The chemistry of reticular framework nanoparticles: MOF, ZIF, and COF materials
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 …
products; they are used as catalysts, in cosmetics, and even by the pharmaceutical industry …
[HTML][HTML] Computation-accelerated design of materials and interfaces for all-solid-state lithium-ion batteries
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 …
However, the realization of all-solid-state batteries is impeded by limited understanding of …
Quantum spin Hall effect in two-dimensional transition metal dichalcogenides
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 …
from backscattering. However, the small band gap in materials that have been identified as …
Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties
The synthesis and properties of the hybrid organic/inorganic germanium perovskite
compounds, AGeI3, are reported (A= Cs, organic cation). The systematic study of this …
compounds, AGeI3, are reported (A= Cs, organic cation). The systematic study of this …