Academy of Finland  
 
 
 
 
 
Funding decision
 
Applicant / Contact person Sundholm, Dage
Organisation University of Helsinki
Project title Electron Correlation in Numerical Electronic Structure Methods for Molecules
Decision No. 314821
Decision date 18.06.2018
Funding period 01.09.2018 - 31.08.2022
Funding 600 000
   
Project description
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.