Magnar Bjørgve defended his PhD thesis

Trial lecture 

April 4th, 10:15 AM, Auditorium 1.022, Teknologibygget. 

The trial lecture was live streamed for everyone else.

Trial lecture title: “The roles of theory and simulation in chemical discovery and design”

Prior to the defense, the candidate successfully exposed his trial lecture before the evaluating committee. The committee found the trial lecture satisfactory and the Mr. Bjørgve was then allowed to defend. The defense followed the standard procedure where the candidate presented his work, followed by the opposition by the committee. The discussion was lively and Mr. Bjørgve showed a good command of the research field and own ideas about how to advance further. Both opponents were satisfied with the presentation and the subsequent discussion. 

Summary 

This thesis presents VAMPyR, an advancement in quantum chemistry that significantly mitigates the challenges inherent in high-precision computational methods. By providing a Python interface to the multiwavelet-based functionalities of MRCPP, VAMPyR enables a more intuitive, accessible, and efficient approach to quantum chemical calculations, reducing the complexity traditionally encountered with basis sets and lower-level programming languages. The development and capabilities of VAMPyR are underscored, illustrating its application in simplifying the prototyping and implementation of new methods in quantum chemistry. The software's usability is evidenced through successful deployment in educational settings and research projects, thus confirming its potential to enhance productivity and foster innovation in the field.

Photo: Sahil Gahlawat / UiT.

PhD thesis

"Unleashing the VAMPyR. A Python Journey into the Realm of Multiwavelets and Quantum Chemisty", https://munin.uit.no/handle/10037/33245

Evaluation committee, Supervisors and Leader of defense

Evaluation committee

• Professor Robert Harrison, Stony Brook University, USA (1. Opponent)
• Associate Professor Sarai Dery Folkestad, NTNU (2. Opponent)
• Researcher Bin Gao, Department of Chemistry, UiT (intern member and leader of the committee)

Supervisors

• Professor Luca Frediani, Department of Chemistry, UiT (main supervisor)
• Researcher Stig Rune Jensen, Department of Chemistry, UiT
• Professor Tor Flå, Department of Mathematics and Statistics, UiT

Leader of defense

• Professor Peik Haugen, Department of Chemistry, UiT

Funding

The position was funded as part of the in-kind contribution to the Hylleraas Centre from UiT.