Hylleraas Director Trygve Helgaker interviewed by Titan.uio.no on the importance of computation and simulation in chemistry.
Hylleraas PI Kathrin H. Hopmann has written an editorial in Organometallics entitled “How To Make Your Computational Paper Interesting and Have It Published“
Annual workshop for Hylleraas UiT arranged at Haraldvollen Jan 21-25
A record number of students participated in this years winter school.
Hylleraas PI Kathrin Hopmann has been appointed member of the Norwegian national resource allocation committee (RFK) for e-infrastructure from January 2019.
Andre Laestadius, postdoctoral researcher at the Hylleraas Centre, was awarded one of the first two Young CAS projects this summer, with his project "Do Electron Current Densities Determine All There Is to Know?"
We congratulate Hylleraas members Erik Tellgren and Sangita Sen with the feature article A local tensor that unifies kinetic energy density and vorticity in density functional theory in The Journal of Chemical Physics
Dalton and LSDalton had their first official release since they became OpenSource programs.
Marius Kadek recently defended his PhD thesis entitled "Advancing relativistic electronic structure methods for solids and in the time domain."
Organometallics publishes high-quality articles on the synthesis, structure, reactivity, and applications of organometallic compounds. Kathrin will contribute her expertise on computational modelling of organometallic systems to assist the journal in selecting high-quality submissions in the field.
Kathrin H. Hopmann, one of the Principal Investigators of the Hylleraas Centre, has together with her co-workers Annette Bayer and Janakiram Vaitla published a combined experimental and computational study in Angewandte Chemie entitled Iron‐Catalyzed Carbenoid Transfer Reactions of Vinyl Sulfoxonium Ylides: An Experimental and Computational Study
We congratulate Hylleraas leader Trygve Helgaker with the feature article Bethe–Salpeter correlation energies of atoms and molecules in The Journal of Chemical Physics
Kenneth Ruud and Bjorn-Olav Brandsdal are organizing a mini-symposium in connection with Nobel laureate in chemistry Prof. Arieh Warshel's promotion as Doctor Honoris Causa at UiT The Arctic University of Norway.
Time and place: Sep. 25, 2018 - Sep. 26, 2018, Tromsø
Odile Eisenstein, one of the Principal Investigators of the Hylleraas Centre, has, together with co-workers from Zürich, Osaka and UC Berkeley, established chemical shift as a predictive descriptor for catalytic activity of olefin polymerization and oligomerization. Their important work was recently published in the Proceedings of the National Academy of Sciences of the United States of America (PNAS)
Trygve Helgaker was invited by students at Massachusetts Institute of Technology, Boston University, and Harvard University to give a lecture as part of the Greater Boston Area Theoretical Chemistry Lecture Series