Nettsider med emneord «hylleraas»

A new C++ symbolic library Tinned has been developed, which will serve as a cornerstone of a more open-ended and unified framework for response theory development and computations.

Published as part of the Journal of Physical Chemistry A Virtual Special Issue “Attosecond Chemistry”, this paper by Hylleraas members  investigates the feasibility of using fully flexible explicitly correlated Gaussians for simulating laser-induced attosecond processes without the Born-Oppenheimer approximation.

Doctoral candidate Lin Xue at the Department of Chemistry, Faculty of Mathematics and Natural Sciences, defended his thesis "Communication and interaction among surface-adhered membranous protocells" for the degree of Philosophiae Doctor.

International collaborations are essential for the Hylleraas Centre. In April, the Hylleraas Centre in Oslo initiated a collaboration with PhD student Gonzalo Darío Nuñez from Spain. 

Doctoral candidate Magnar Bjørgve at the Department of Chemistry, UiT The Arctic University of Norway, defended his thesis "Unleashing the VAMPyR. A Python Journey into the Realm of Multiwavelets and Quantum Chemistry" for the degree of Philosophiae Doctor.

Doctoral candidate Ryan Scott Wilkins at the Department of Chemistry, UiT The Arctic University of Norway, defended his thesis "Mechanisms of enzyme adaptation to extreme environments: The rational design of a thermophilic chorismate mutase" for the degree of Philosophiae Doctor.

Dr. Torsha Moitra has been awarded the Marie Sklodowska-Curie Action European Fellowship in the field of Chemistry. Since February 2022, she has worked as a postdoctoral fellow at the UiT node of the Hylleraas Centre, in the group of Dr. Michal Repisky and Prof. Kenneth Ruud.

Flavie and Michael start their PhDs at the Hylleraas Center in Oslo, with the support of the EU DN DEMO project.

Theoretical models can provide fundamental insights on the substrate activation by metals as well as on the interactions between the different catalysts. This will allow the deciphering at the atomic level of the preferential pathways leading to different reaction products.

Doctoral candidate Mahika Luthra at the Department of Chemistry, Faculty of Mathematics and Natural Sciences, defended her thesis "Computational Study on the Electrochemical Reduction of CO₂ using Transition Metal catalysts with Pendant Amines" for the degree of Philosophiae Doctor.

I RT1 utvikler vi nøyaktige elektronstrukturmodeller.

I RT2 utvikler vi verktøy for multiskalamodellering. Vi kobler kvantemekaniske, atomære modeller med grovkornede, mesoskala modeller.

I RT3 modellerer vi vekselvirkninger mellom komplekse systemer og elektromagnetiske felt over et bredt frekvensområde.

I RT4 utforsker vi eksotisk kjemi i ultrasterke magnetfelt og høye trykk.

I RT5 utvikler vi nye modelleringsprotokoller for å styre reaktivitet og energioverføring i komplekse kjemiske transformasjoner.

I RT6 utvikler vi nye modelleringsprotokoller for å studere struktur og dynamikk av makromolekyler, samt deres vekselvirkninger med membraner og andre grensesnitt.