JDFTx software paper published in SoftwareX

Application of JDFTx to fuel cell chemistry

R. Sundararaman, K. Letchworth-Weaver, K. A. Schwarz, D. Gunceler, Y. Ozhabes and T.A. Arias, “JDFTx: software for joint density-functional theory”, SoftwareX 6, 278 (2017)

Our open-source software for density-functional theory, JDFTx, is now published in a new journal dedicated for scientific software, SoftwareX. The development of JDFTx started in 2012 with the purpose of rapidly developing and testing new techniques for electronic structure calculations in liquid environments within the framework of Joint Density Functional Theory (JDFT). Since then, it has rapidly grown to a general-purpose DFT software that is simultaneously developer and user-friendly, and which allows rapid development of new theories and models that also automatically perform well on a range of computer architectures.