Inverse Design of Solid-State Materials via a Continuous Representation

Materials design of solid electrolytes.

S olid electrolytes play an important role in several technological applications, such as fuel cells. Optimization of such materials is often done by trial and error. The work of Andersson et al. (1) in this issue of PNAS demonstrates that the choice of dopants can be guided by computer simulations, in which parameters that are essential for the high ionic conductivity are determined from a ser...

Materials for Solid State Lighting

Dramatic improvement in the efficiency of inorganic and organic light emitting diodes (LEDs and OLEDs) within the last decade has made these devices viable future energy efficient replacements for current light sources. However, both technologies must overcome major technical barriers, requiring significant advances in material science, before this goal can be achieved. Attention will be given ...

Ab Initio Quality NMR Parameters in Solid-State Materials Using a High-Dimensional Neural-Network Representation.

Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful experimental tools to probe the local atomic order of a wide range of solid-state compounds. However, due to the complexity of the related spectra, in particular for amorphous materials, their interpretation in terms of structural information is often challenging. These difficulties can be overcome by combining molecular ...

Video Representation via a Continuous Probabilistic Framework

In this work we describe a novel statistical video representation and modeling scheme. Video representation schemes are needed to enable segmenting a video stream into meaningful video-objects, useful for later indexing and retrieval applications. In the proposed methodology, unsupervised clustering via Guassian mixture modeling extracts coherent space-time regions in feature space, and corresp...

Phase Transformations Preparation of Solid State Materials