
A central tenet of materials analysis is the structure-property paradigm, which proposes a direct connection between the geometric structures within a material and its properties. The increasing power of high-speed computation has had a major impact on theoretical materials science...

A central tenet of materials analysis is the structure-property paradigm, which proposes a direct connection between the geometric structures within a material and its properties. The increasing power of high-speed computation has had a major impact on theoretical materials science...