Recently, a research group led by Prof. Li Can and Prof. Fan Fengtao from the Dalian Institute of Chemical Physics (DICP) of the Chinese Academy of Sciences (CAS) and their collaborators revealed the ...

Density functional theory (DFT) has been a critical component of computational materials research and discovery for decades. However, the computational cost of solving the central Kohn–Sham equation ...

Calculating ground-state observables for real materials is a quantum many-body problem. It is simple in principle, since one knows the expression for expectation values of operators in terms of ...

Researchers at the University of Illinois Urbana-Champaign have detected the existence of a charge density wave of electrons that acquires mass as it interacts with the background lattice ions of the ...