General information



Ethanol dimer.
Photo courtesy of Otava Media, all rights reserved.

I am a postdoctoral researcher working in the Head-Gordon Group at Lawrence Berkeley National Laboratory. My current research focuses on ways to describe strong correlation cost-effectively via the perfect pairing hierarchy of models, which are truncations of usual coupled-cluster theory. Recently, I have also been working on the Perdew-Zunger correction to density-functional theory, as well as localized orbitals.

I did my PhD studies at the Department of Physics at the University of Helsinki, and a postdoctorate at Department of Applied Physics at Aalto University. See here for my list of publications.

As a theoretical physicist by training, I got interested in fundamental quantum chemistry. I also don't mind getting my hands dirty with writing (or debugging) code. My most significant work so far has been ERKALE, which is a Hartree-Fock / density-functional theory SCF program, focusing on the modeling of x-ray properties. I'd be happy to hear if you have found the program useful. I'm also a contributor to the libxc library and a Q-Chem developer.

I have done some work on the study of basis set completeness. You can find my basis sets at the EMSL Basis Set Exchange. The newest completeness-optimization work has been done with ERKALE. Before that I was briefly involved as a developer in the Kruununhaka basis set tool kit (Google Code site).

Partly in relation to my scientific interests, I am also involved as a package maintainer in the Fedora project. For more information see my Fedora homepage.