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 ...

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 ...

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