Finlands Akademi
Sökande / Kontakt person Sundholm, Dage
Organisation Helsingfors universitet
Projektets titel Electron Correlation in Numerical Electronic Structure Methods for Molecules
Beslutnr 314821
Beslutsdatum 18.06.2018
Finansierings period 01.09.2018 - 31.08.2022
Finansiering 600 000
WebFOCUS Report
Beskrivning av projektet
We develop novel computational methods and algorithms for studies of the electronic structure of molecules and quantum dots. We employ numerical methods for obtaining a very high accuracy. The algorithms are written for parallel computers and general purpose graphics processing units. We propose a new approach to tackle the electron correlation problem in molecules and quantum dots. The main advantage without approach is that we can divide the complicated problem into a number of smaller tasks that can be solved in parallel. The obtained solutions for the subunits can be connected in order to obtain the wave function for the whole molecule.