3D configurations of atoms dictate all materials properties. Quantitative predictions of accurate equilibrium structures, 3D coordinates of all atoms, from a chemical graph, a representation of the ...

Crystal structures have a decisive impact on the properties of materials, and research on crystal structures often serves as a starting point for material studies. Crystal structure prediction is a ...

Graphs, visual representations outlining the relationships between different entities, concepts or variables, can be very effective in summarizing complex patterns and information. Past psychology ...

Imagine 100 dots scattered in front of you. In a haphazard variation on connect-the-dots, start drawing lines between the points. How many lines can you draw without producing a triangle? A square? An ...

Key-value, document-oriented, column family, graph, relational… Today we seem to have as many kinds of databases as there are kinds of data. While this may make choosing a database harder, it makes ...