Team, Visitors, External Collaborators
Overall Objectives
Research Program
Highlights of the Year
New Software and Platforms
New Results
Bilateral Contracts and Grants with Industry
Partnerships and Cooperations
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Section: New Software and Platforms


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.