Section: New Software and Platforms

DFTK

Keywords: Molecular simulation - Quantum chemistry - Materials

Functional Description: DFTK, short for the density-functional toolkit, is a Julia library implementing plane-wave density functional theory for the simulation of the electronic structure of molecules and materials. It aims at providing a simple platform for experimentation and algorithm development for scientists of different backgrounds.

• Contact: Antoine Levitt

• URL: http://dftk.org