Determining the stability ofmolecules and condensed phases is the cornerstone of atomisticmodeling, underpinning our understanding of chemical andmaterials properties and transformations. We show that amachine-learningmodel, based on a local description of ...
In this study, the authors investigate the impact of radical oxygen plasma on nitrided and annealed atomic layer deposited (ALD) SiO2 as a thick gate oxide (1.65-3 V) with a high-k/metal gate transistor. Time-dependent-dielectric-breakdown voltage, seconda ...
High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from computational search ...
Evaluating the (dis)similarity of crystalline, disordered and molecular compounds is a critical step in the development of algorithms to navigate automatically the configuration space of complex materials. For instance, a structural similarity metric is cr ...
