Simen Kvaal

Researcher - Theoretical chemistry
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Phone +47 22857255
Room V 201
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Visiting address Sem Sælands vei 26 0371 Oslo
Postal address Postboks 1033 0315 Oslo

My background is from physics and applied mathematics, and in 2012 I moved to quantum chemistry. My main interests are analysis and development of computational methods for non-relativistic systems.

I am currently a researcher on Trygve Helgaker's ERC advanced grant ABACUS, where I study formal aspects of density-functional theory. In particular, I study current-density functional theory for molecules in external magnetic fields.

Late 2014, I was awarded an ERC starting grant. The project BIVAQUM dives into the very fundamentals of quantum theory via the so-called bivariational principle. This is a generalization of the standard variational principle that is the foundation for almost every computational scheme for quantum mechanics, and represents a highly unconventional approach, yet it has great potential. The bivariational principle opens up completely new ways of deriving and analyzing methods. In particular, coupled-cluster theory (single- and multireference) may be approached in new ways using the bivariational approach.

BIVAQUM has its own web site, see www.bivaqum.no.

 

 

Tags: manybody theory, density functional theory, coupled cluster theory, Theoretical chemistry, Chemistry
Published June 25, 2012 3:44 PM - Last modified Apr. 28, 2015 9:12 AM