Track topics on Twitter Track topics that are important to you
The effects of structural featurisers in the prediction of band gaps have been investigated through machine learning by application to a silver nanoparticle dataset and 2254 potential light-harvesting materials with known band gap. Elemental properties were extended with structural features, via Voronoi polyhedra which allows for neighbour effects, so presumably giving a better representation of the extended system. However, we did not find any noticeably significant difference to the predictive performance of our model. The biggest improvement to our model was from including band gaps calculated from density functional theory. This resulted in a model which could predict the band gaps of the 2254 light-harvesting dataset with an accuracy reflected in a root-mean-square error of 0.232 eV and mean absolute error of 0.142 eV. Furthermore, the good performance of our model was transferable to the prediction of a set of 72 experimental band gaps, independent of the training set, giving a root-mean-square error of 0.91 eV and mean absolute error of 0.76 eV.
This article was published in the following journal.
Name: Journal of chemical information and modeling
In the past centuries, the scale of engineering optics has evolved toward two opposite directions: one is represented by giant telescopes with apertures larger than tens of meters and the other is the...
In recent tissue engineering applications, the advance of biomaterials has focused on the devising of biomimetic materials that are directing new tissue formation and capable of causing specific cellu...
The greatly increased grain boundary (GB) mobility in nanograined metals under mechanical loading is distinguished from that in their coarse-grained counterparts. The feature leads to softening of nan...
Immunotherapy is revolutionizing the treatment of cancer. It can achieve unprecedented responses in advanced-stage patients, including complete cures and long-term survival. However, immunotherapy als...
Triggered by the growing needs of developing semiconductor devices at ever-decreasing scales, strain engineering of 2D materials has recently seen a surge of interest. The goal of this principle is to...
The purpose of this trial is to assess device performance against participants in an overnight study to ensure the product meets user and clinical requirements
Goal of this study is to determine the benefit of an improved feature on a new hearing aid platform. To investigate the improvements of this feature is compared on a new and older hearing...
The aim of this study is to perform the bone tissue engineering to reconstruct the alveolar bone defect in cleft lip and palate patients using mesenchymal stem cells from deciduous dental ...
This study is to try to maintain cultured dermal papilla cells in spherical structure in vitro before transplanting into dermis in vivo. Also, this study is aimed in clarifying actual mech...
The purpose of this study is to determine whether tissue engineering conjunctiva is effective in the treatment of pterygium and atretoblepharia.
An interdisciplinary field in materials science, ENGINEERING, and BIOLOGY, studying the use of biological principles for synthesis or fabrication of BIOMIMETIC MATERIALS.
A basic science concerned with the composition, structure, and properties of matter; and the reactions that occur between substances and the associated energy exchange.
Methods and techniques used to modify or select cells and develop conditions for growing cells for biosynthetic production of molecules (METABOLIC ENGINEERING), for generation of tissue structures and organs in vitro (TISSUE ENGINEERING), or for other BIOENGINEERING research objectives.
Application of principles and practices of engineering science to the transformation, design, and manufacture of substances on an industrial scale.
Organic chemistry methodology that mimics the modular nature of various biosynthetic processes. It uses highly reliable and selective reactions designed to "click" i.e., rapidly join small modular units together in high yield, without offensive byproducts. In combination with COMBINATORIAL CHEMISTRY TECHNIQUES, it is used for the synthesis of new compounds and combinatorial libraries.