Graphullerene is a recently discovered, two-dimensional allotrope of carbon formed from C60 molecules. It has been synthesized in the form (C60Mg4)n and subsequently transformed into (C60)n by removal of the Mg
In particular, we find that the transaction relations follow a bow-tie structure with negative assortativity if they are regarded as a directed graph. The popular hubs tend to connect to a large number of common users. We believe that the aforementioned statistics can be ascribed to the vast ...
All the optical properties in our database are based on the absorption and emission spectra reported in the originally published papers. To extract the optical properties, the absorption and emission spectra were carefully examined to exclude unreliable experimental results. In the case of collecting t...
While the focus of prior research was on the long short-term memory network architecture, more deep learning architectures offer promising extensions that have proven useful for other applications of sequential data. In our work, we introduce a gated convolutional neural network and a key-value-...
A design goal of Shader Graph Markdown was to keep simplicity to allow for a fast workflow and nice editors, without writing any code. Custom drawers, on the other hand, give a lot of flexibility. The in-between, where you use some kind of markup to describe very complex behaviour, is...
The primary methods used for this analysis are two Space Syntax techniques which, like all such syntactical methods in architectural research, are supported by graph mathematics (Hillier and Hanson 1984; Hillier and Kali 2006; Ostwald 2011; Bafna 2003). However, such is the complexity of the ...
Carbon-based low-dimensional materials possess many properties that make their implementation in nanodevices a subject of great interest. With these impressive transport and mechanical properties, one such use includes its use as a component of a Cu-based electrode. To investigate the applicability of...
Results of tribological tests Figure 8 shows the change in wear rate according to volume fraction and distance. The graph results show that by adding NPs to the primary fluid, the wear rate has increased by 35%. In this test, the engine speed is 100 rpm, the average applied force is 195...
data. Here, we develop multi-fidelity graph networks as a universal approach to achieve accurate predictions of materials properties with small data sizes. As a proof of concept, we show that the inclusion of low-fidelity Perdew–Burke–Ernzerhof band gaps greatly enhances the resolution of latent...
c, ROC curves of Chemception, ADMET-CNN12, QSAR-CNN47 and ImageMol on five CYP isoform validation sets (PubChem data set II). ADMET-CNN and QSAR-CNN are the latest molecular image-based drug discovery models. d, The ROC-AUC performance of sequence-based, graph-based and fingerprint-...