Sentences with phrase «principle electronic structure»

Conducts basic research over a wide swath of theoretical physics, ranging from strongly correlated electrons to first principle electronic structure theory.

First - principles electronic structure theory had matured to the point where materials I thought might be good candidates could be studied.

I had some advantages: First - principles electronic structure theory — in which the structure and properties of chemical compounds are calculated by solving the Schrödinger equation — had just matured enough to allow the study of materials that I thought might be good multiferroics candidates.

His research focuses on the development and application of quantum, many - body, first - principles electronic structure theory to strongly correlated electronic materials.

Not exact matches

In addition to showing excellent photocatalytic stability in electrolyte solutions with a pH as high as 13, these four phases appear to have important similarities in electronic structure, according to first - principles calculations.

By combining first - principles molecular dynamics simulations with state - of - the - art electronic structure methods, the team could predict the excitation energies of the solvents and solutes, such as the ionization potentials of the solvated ions.

Is it going to be good enough to rest the whole structure of electronic transferable records on this abstract principle of reliability, however minutely analyzed?