Quantum Chemistry

 

Quantum Chemistry

 

In the quantum chemistry group we work with development and application of quantum chemical calculation methods. Our projects range from implementation of highly accurate ab initio methods to investigations of large systems using efficient Density functional theory (DFT)-methods.

 

Project opportunities

 

Our group can offer students the opportunity to write projects and master's theses in method development and/or applications of computational methods. The exact formulation of projects can be tailored to students' programming competence and interests. 

Possible student projects:

  • Investigation of sodium diffusion through graphite (see Eirik Hjertenæs' master thesis for an introduction to the topic)
  • Application of state-of-the-art computational methods for the description of van der Waals complexes.
  • Developement and testing of a new computational method based on non-orthogonal Slater Determinants (NOSD).
  • Application of the extended CC2 model, ECC2.
 

Collaborators

 

Our group collaborates/have collaborated with many brilliant researchers in Norway and abroad:

The Dalton Collaboration

Prof. Chiara Cappelli (SNS, Pisa)

Prof. Berta Fernandez (CiQUS, Santiago)

Prof. Trygve Helgaker (UiO, Oslo)

Associate Prof. Thomas Bondo Pedersen (UiO, Oslo)

Prof. Antonio Rizzo (UNiSI, Sienna)

Prof. Kenneth Ruud (UiT, Tromsø)

Associate Prof. Alfredo Sanches de Merás (UV, Valencia)

 

Teaching

Our group is in charge of the following three courses:

KJ1041 - Chemical Bonding, Spectroscopy and Kinetics

TKJ4170 - Quantum Chemistry

KJ8206 - Advanced Quantum Chemistry

For more information about each course see the respective course websites (links). For recommendations to other relevant courses for our group, please contact us.

 

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