Special Issue on Advances in Density Functional Theory

Density functional theory has been the most powerful tool for calculating the electronic structure and properties in condensed matter physics. In recent years, the combination of DFT and molecular dynamics has made great progress in material design, synthesis, analog computation and evaluation, and has become an important foundation and core technology in the field of materials science and computational chemistry. The goal of this special issue is to provide a platform for scientists and academicians all over the world to promote, share, and discuss various new issues and developments in the area of density functional theory research.

In this special issue, we intend to invite front-line researchers and authors to submit original researches and review articles on exploring advances in density functional theory. Potential topics include, but are not limited to:

• The principle of density functional theory
• Density functional theory calculations
• Electronic structure analysis
• DFT and material chemistry
• DFT and condensed matter physics
• Application of density functional theory

Authors should read over the journal’s For Authors carefully before submission. Prospective authors should submit an electronic copy of their complete manuscript through the journal’s Paper Submission System.

Please kindly notice that the “Special Issue” under your manuscript title is supposed to be specified and the research field “Special Issue – Advances in Density Functional Theory” should be chosen during your submission.

According to the following timetable:

Guest Editor:

For further questions or inquiries

Please contact Editorial Assistant at

jmp@scirp.org