CORDIS Project
Funding breakdown and partner intelligence are Premium
Sign in and upgrade to Premium for EU contribution totals, consortium analytics, OpenAlex research context, and AI summaries. · 0 consortium intelligence fields visible of 1
Start free • Cancel anytime • 14-day refund guarantee
This project aims to develop new density functionals for density functional theory, focusing on creating a universal functional that can accurately model a wide range of chemical reactions. It utilizes a harmonium model to improve the performance of existing functionals.
Nowadays the application of computational chemistry extends to the realm of bioinorganic, organic and nanotechnology molecules, whose size impedes the use of purely ab initio methods, leaving density functional theory (DFT) as the only recourse to model chemical reactions.
The accuracy of DFT calculations depends critically on the quality of functionals used and, as a result, in the last years there has been a craving for new density functionals.
Many functionals have been designed, often based…
Partner organizations (coordinator is shown above), with normalized type and CORDIS activity type. Guests see up to 4 partners.
Similar projects, consortium collaboration history, frequent partners, and OpenAlex research context.
Guests see up to 5 EuroSciVoc fields.
Guests see up to 5 topics.
