Orbital-free density functional theory (OFDFT) represents a promising reformulation of quantum mechanics for materials and molecular simulations. By expressing the kinetic energy solely as a ...

Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a comprehensive review of ...

Theoretical physicists use machine-learning algorithms to speed up difficult calculations and eliminate untenable theories—but could they transform what it means to make discoveries? Theoretical ...