| Tirsdag 16.10 | Hall A2, Rom Jan Mayen 3 |
| Sesjon 1: Elektronstruktur | |
| Ordstyrer: | Trygve Helgaker, UiO |
| 15.00 - 15.40 | KM1 Applying coupled cluster theories to solids and surfaces in the thermodynamic limit. Andreas Grüneis (TU Wien, Østerrike) |
| 15.40 - 16.00 | KM2 The Study of Coupled-Cluster Methods Using Strong Monotonicity. André Laestadius (UiO) |
| 16.00 - 16.20 | KM3 An efficient
pseudo-spectral method for the description of atomic electronic wave
functions - application to the hydrogen atom in a uniform magnetic
field. Clemens Woywod (UiT) |
| 16.20 - 16.50 | Kaffepause |
| Sesjon 2: Multiskala modellering | |
| Ordstyrer: | Giovanni Occhipinti, UiB |
| 16.50 - 17.20 | KM4 Modelling nanoscale friction of adsorbed molecules. Astrid de Wijn (NTNU) |
| 17.20 - 17.40 | KM5 Molecular dynamics in a density dependent inhomogeneous dielectric. Sigbjørn Bore (UiO) |
| 17.40 - 18.00 | KM6 Self-Assembly of α Tocopherol Transfer Protein Nanoparticles: A Patchy Protein Model. Raphael Peltzer (UiO) |
| Onsdag 17.10 | |
| Sesjon 3: Spektroskopi | |
| Ordstyrer: | Kenneth Ruud, UiT |
| 15.00 - 15.40 | KM7 DrawMol a new
program to visualize molecular properties - Application to Magnetically
Induced Current of Helicene molecules. Vincent Liegeois (Universitet i Namur, Belgia) |
| 15.40 - 16.00 | KM8 Relativistic real-time and linear response TDDFT approaches to electron absorption and circular dichroism spectroscopies. Lukas Konecny (UiT) |
| 16.00 - 16.20 | KM9 Time-Dependent Coupled-Cluster Theory Thomas Bondo Pedersen (UiO) |
| 16.20 - 16.50 | Kaffepause |
| Sesjon 4: Lynpresentasjoner | |
| Ordstyrer: | Luca Frediani, UiT |
| 16.50 - 18.00 | KM10 Selective CO2 conversion with Rh/bisphosphine-thiourea (ZhaoPhos) catalyst. Ljiljana Pavlovic (UiT) KM11 Decarbonylative dehydration of fatty acids: New mechanistic insight. Sondre H.H. Eliasson (UiB) KM12 Hydrogenation of amides to methanol and amines. A computational point of view. Lluís Artús Suàrez (UiO) KM13 DigiBiotics: discovering novel antimicrobial molecules from Arctic marine fungi. Karolina Solheimslid Eikås (UiT) KM14 Peptide fibrillization revealed by two-photon absorption. Maarten Beerepoot (UiT) KM15 Molecular vibrations with polarizable embedding. Karen O. H. Dundas(UiT) |
| 19.30 - ... | Faggruppemiddag |
| Torsdag 18.10 | |
| Sesjon 5: Biologiske systemer og materialer | |
| Ordstyrer: | Michele Cascella, UiO |
| 08.30 - 09.10 | KM16 RNA structure and dynamics combining molecular simulations and experiments. Giovanni Bussi (SISSA, Trieste, Italia) |
| 09.10 - 09.30 | KM17 Role of time-reversal symmetry in relativistic band-structure calculations of solids. Marius Kadek (UiT) |
| 09.30 - 09.50 | KM18 Contribution of the aromatic amino acids in membrane binding of peripheral proteins using Free Energy Perturbation. Qaiser Waheed (UiB) |
| 09.50 - 10.20 | Kaffepause |
| Sesjon 6: Katalyse | |
| Ordstyrer: | Ainara Nova, UiO |
| 10.20 - 10.50 | KM19 Is Your Mechanism Correct? Kathrin Hopmann (UiT) |
| 10.50 - 11.10 | KM20 Computational insights into the decomposition pathways of Ru-based olefin metathesis catalysts. Marco Foscato (UiB) |
| 11.10 - 11.40 | KM21 Platform for Ontology Engineering and Evolution for Nano and Quantum Technologies. Axel Peter Mustad (NQCG) |
| 11.40 - 12.10 | Årsmøte i faggruppen for Kvantekjemi og Modellering |