CONUNDrum: A program for orbital-free density functional theory calculations
Pavlo Golub, Sergei Manzhos
Topics & Concepts
Density functional theoryOrbital-free density functional theoryStatistical physicsComputer scienceTheoretical physicsPhysicsTime-dependent density functional theoryQuantum mechanicsMachine Learning in Materials ScienceAdvanced Chemical Physics StudiesX-ray Diffraction in Crystallography