Program

2024-08-12

Day 1

12:00 - 13:00

Lunch

13:00 - 13:10

Welcome and practical information

Erik D. Hedegård

Session I – Chair: Janus Juul Eriksen

13:10 - 14:00

100 years of quantum chemistry in Scandinavia

Trygve Helgaker

14:00 - 14:25

Redfield theory for electronically open molecular systems

Bendik Støa Sannes

14:25 - 14:50

Time-Dependent Particle-Breaking Hartree-Fock Theory for Electronically Open Quantum Systems

Jacob Pedersen

14:50 - 15:20

Break

Session II – Chair: Jonas Elm

15:20 - 15:45

The Fate of Inverted Excited-State Singlet-Triplet Gaps in Polycyclic Non-Alternant Hydrocarbons

Marc Hamilton Garner

15:45 - 16:10

Evaluation of DFT methods to use for nitrogenase models by high-level ab initio methods

Ulf Ryde

16:10 - 16:40

Break

16:40 - 17:05

Quantum transport through molecules using NEGF-DFT

Susanne Leitherer-Stenger

17:05 - 17:30

Liouville-space approximate-state response theory

Magnus Ringholm

2024-08-13

Day 2

Session III – Chair: Stephan P. A. Sauer

9:00 - 9:50

VeloxChem: Science and education-enabling platform for quantum molecular modeling

Patrick Norman

9:50 - 10:15

Generalizing DFT for strong correlation

Mickaël G. Delcey

10:15 - 10:45

Break

Session IV – Chair: Ida-Marie Høyvik

10:45 - 11:35

eT 2.0 - going beyond coupled cluster theory

Sarai Dery Folkestad

11:35 - 12:00

Symmetry breaking in multiconfigurational calculations

Valera Veryazov

12:00 - 13:00

Lunch

Session V – Chair: Sonia Coriani

13:00 - 13:50

Time-dependent coupled cluster theory

Thomas Bondo Pedersen

13:50 - 14:15

Coupled-cluster methods on GPUs

Jeff Hammond

14:15 - 14:40

Cluster perturbation theory: perturbation series for coupled cluster singles doubles ground state energies

Andreas Erbs Hillers-Bendtsen

14:40 - 15:10

Break

Session VI – Chair: Gabriel Silva Rodrigues

15:10 - 16:00

A call to arms: paving the way for reusable standard libraries in electronic structure theory

Susi Lehtola

16:00 - 16:50

Relativistic calculations with Multiwavelets and DFT

Luca Frediani

16:50 - 17:15

A Multiscale Computational Investigation on the Multiphoton Absorption of the Channelrhodopsin-2 Transmembrane Protein

David Carrasco de Busturia

17:15 - 17:30

Host for the next meeting?

Steering Committee

Dinner at Storms Pakhus 19:00

Participants are responsible for paying for their own food and drinks

2024-08-14

Day 3

Session VII – Chair: Casper Steinmann

9:00 - 9:50

Fast and automated predictions of chemical reactivity using quantum chemistry in the age of machine learning

Jan H. Jensen

9:50 - 10:15

ML-enhanced molecular dynamics simulations of atmospheric molecular cluster formation

Jakub Kubecka

10:15 - 10:45

Break

Session VIII – Chair: Ernst Dennis Larsson

10:45 - 11:10

Computing molecular properties with quantum computers

Erik Kjellgren

11:10 - 11:35

Computing molecular properties with quantum computers

Peter Reinholdt

11:35 - 12:00

Preparing computational chemistry problems for the quantum computing era

Pi Haase

12:00

Lunch & departure

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