Tuesday (12/11-24)
10:00 - 10:10
Opening
Session 1
Chair: Thomas Bondo Pedersen (UiO)
10:10 - 10:30
Yassir El Moutaoukal (NTNU)
Polaritonic molecular orbitals
10:30 - 10:50
Rosario Riso (NTNU)
Reshaping asymmetric reactions through the strong coupling regime: chiral molecules in chiral cavities
10:50 - 11:10
David Balcells (UiO)
Generative AI for metal chemistry
11:10 - 11:30
Break
Session 2
Chair: Trygve Helgaker (UiO)
11:30 - 11:50
André Laestadius (OsloMet)
Quantum-electodynamical density-functional theory for the Dicke Hamiltonian
11:50 - 12:10
Vebjørn Bakkestuen (OsloMet)
Kohn-Sham inversion with mathematical guarantees
12:10 - 13:00
Lunch
Session 3
Chair: Per Olof Åstrand (NTNU)
13:00 - 13:20
Lucia Moran Gonzalez (UiO)
Development and application of the AABBA graph kernel for enhanced molecular representation
13:20 - 13:40
Hannes Kneiding (UiO)
Quantum-informed graph representations for the prediction of molecular properties of transition metal complexes
13:40 - 14:00
Arron Luc Burnage (UiO)
Cross-coupling catalysts for inactive substrates from a three-dimensional virtual screening
14:00 - 14:20
Break
Session 4
Chair: Sarai Dery Folkestad (NTNU)
14:20 - 14:40
Federico Rossi (NTNU)
Generalized coupled cluster theory for ground and excited state intersections
14:40 - 15:00
Sara Angelico (NTNU)
Locating minimum energy conical intersections with coupled cluster theory
15:00 - 15:20
Leo Stoll (NTNU)
Similarity constrained coupled cluster theory at the CC2 level
15:20 - 15:40
Break
Session 5
Chair: David Balcells (UiO)
15:40 - 16:00
Marco Bortoli (UiO)
Improving the rational design of Grignard reagents using design with machine learning
16:00 - 16:20
Henrique M. Cezar (UiO)
Beyond core-shell models of micellar structure with metainference data-driven simulations
16:20 - 16:40
Break
Session 6
Chair: Marco Foscato (UiB)
16:40 - 17:00
Agnieszka Seremak (UiO)
Understanding cation mobility and framework flexibility in Na-Y Zeolite during water adsorption/desorption via GCMC and machine learning potentials
17:00 - 17:20
Bin Gao (UiT)
SymResponse: A new unified library for simulating molecular response functions
17:30 - 18:00
NKS general assembly meeting
19:00 - 21:00
Conference dinner
Wednesday (13/11-24)
Session 1
Chair: Henrik Koch (NTNU)
08:30 - 08:50
Lukas Baldauf (NTNU)
QuanTIS: Combining different levels of theory in path sampling
08:50 - 09:10
Simon Elias Schrader (UiO)
Time-evolution as an optimization problem – solving the Schrödinger equation with explicitly correlated Gaussians
09:10 - 09:30
Evgueni Dinvay (UiT)
Multiresolution of the one-dimensional free-particle propagator
09:30 - 09:50
Break
Session 2
Chair: Luca Frediani (UiT)
09:50 - 10:10
Jacob Pedersen (NTNU/DTU)
Statistical mechanics of electronically open quantum systems: Insights into the chemical potential
10:10 - 10:30
Alice Balbi (NTNU)
Introducing correlation into the Redfield equation
10:30 - 10:50
Magnus Ringholm (UiT)
Second-quantization Liouville-space response theory for H0 non-eigenstates
10:50 - 11:10
Break
Session 3
Chair: André Laestadius (OsloMet)
11:10 - 11:30
Matteo Castagnola (NTNU)
Real time ab intio quantum electrodynamics for strong coupling electron-photon dynamics
11:30 - 11:50
Jan Haakon Trabski (NTNU)
Advancing electron-positron binding predictions: A coupled-cluster approach for more accurate description of electron-positron binding energies
11:50 - 12:10
Marco Foscato (UiB)
Hypershape Recognition (HSR): A generalized framework for moment-based molecular similarity
12:10 - 13:00
Lunch