CHILI datasets tackle inorganic nanomaterials, advancing graph machine learning.
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MatGAN uses GAN to efficiently generate new inorganic materials.
Language models predict inorganic synthesis conditions and temperatures.
CRYSPNet predicts crystal structures from chemical compositions.
Future advancement of engineering applications is dependent on design of novel materials with desired properties. Enormous size of known chemical space necessitates use of automated high throughput screening to search the desired material. The high throughput screening uses quantum chemistry calculations to predict mat…
Langmuir-Blodgett films (LB-films) consist from few LB-monolayers which are high structured nanomaterials that are very promising materials for applications. We use a geometrical approach to describe structurization into LB-monolayers. Consequently, we develop on the 1-jet space J^1([0,\infty),R^2) the single-time Lagr…
Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for connecting scientific literature to synthesis insights. Starting from natural la…
Review of automation's role in chemical discoveries.
New method uses cohomology to quantify molecular similarity.
Fake engagement is one of the significant problems in Online Social Networks (OSNs) which is used to increase the popularity of an account in an inorganic manner. The detection of fake engagement is crucial because it leads to loss of money for businesses, wrong audience targeting in advertising, wrong product predicti…
Superconductivity has been the focus of enormous research effort since its discovery more than a century ago. Yet, some features of this unique phenomenon remain poorly understood; prime among these is the connection between superconductivity and chemical/structural properties of materials. To bridge the gap, several m…
Developing accurate, transferable and computationally inexpensive machine learning models can rapidly accelerate the discovery and development of new materials. Some of the major challenges involved in developing such models are, (i) limited availability of materials data as compared to other fields, (ii) lack of unive…
Gemini uses inexpensive measurements to correct biases in expensive property evaluations.
Gryffin optimizes categorical variables in materials design, leveraging expert knowledge.
Materials discovery is crucial for making scientific advances in many domains. Collections of data from experiments and first-principle computations have spurred interest in applying machine learning methods to create predictive models capable of mapping from composition and crystal structures to materials properties. …
HSBC grew from Hong Kong to global dominance despite political upheavals.