List of Participants (71)

• Mark Hoffmann, Department of Chemistry, University of North Dakota, USA
  Advances in Generalized Van Vleck variant of Multireference Perturbation Theory (abstract)
• Sondre Schnell, Process and Energy Laboratory, TU Delft, Netherlands
  Thermodynamics of small systems in the μVT ensemble (abstract)
• Matthias Wohlgemuth, Department of Physics, Freie Univ. Berlin, Germany
• Hans Ågren, Department of Theoretical Chemistry, Royal Institute of Technology, Stockholm, Sweden
  Towards effective modelling design of biomolecular probes: EPR, NMR and NLO (abstract)

Akershus University College

• Roar A. Olsen, (NKS member)

Department of Chemistry, University of Bergen

• Mahmoud Abu-samha, (NKS member), Alignment-dependent ionization of linear molecules in intense laser fields (abstract)
• Knut Børve, (NKS member)
• Nils Kristian Jordheim, (NKS member), Photoelectron spectroscopy, a new technique for studying molecular conformations (abstract)

CTCC, Department of Chemistry, University of Oslo

• Vebjørn Bakken, (NKS member)
• Arne Joakim Bunkan, (NKS member), Radical reactions of CH₂NH in the atmosphere (abstract)
• Trygve Helgaker
• Thomas Kjærgaard, The Divide-Expand-Consolidate DEC coupled cluster (CC) model: A black box linear-scaling approach with correlation energy-based error control (abstract)
• Kai Kaarvann Lange, Electronic excitations in strong magnetic fields (abstract)
• Beate Larsen, (NKS member), A theoretical study of the zinc oxide cluster models of CPO-27-Zn (abstract)
• Vincent Leroux, (NKS member), Molecular modeling of protein-carbohydrate systems: Preliminary molecular dynamics study of Cholera Toxin Bsubunit (CTB) / GM1 pentasaccharide complexes (abstract)
• Patrick Merlot, (NKS member), Pair-Atomic Resolution-of-the-Identity (abstract)
• Taku Onishi, Hybrid-DFT study on ion conductive perovskites (abstract)
• Thomas Bondo Pedersen, (NKS member), Local Density Fitting using Cholesky Decomposition (abstract)
• Michal Przybytek
• Simen Reine, (NKS member), Efficient density-functional theory force evaluation for large molecular systems - recent developments in DALTON (abstract)
• Vladimir Rybkin
• Anton Simakov, Energetics and mechanisms of the unimolecular dissociation of the protonated trioses (abstract)
• Marie Døvre Strømsheim, (NKS member), Perspectives on Dispersion in Density-Functional Theory (abstract)
• Yizhen Tang
• Andy Teale, (NKS member), Using Wave-function Approaches to Provide Insight into Density-Functional Theory: An Adiabatic Connection Approach (abstract)
• Erik Tellgren
• Einar Uggerud, (NKS member)
• Li-Ming Yang, Computational simulations on the metal-organic framework: UiO-66 (abstract)
• Alexey Zatula, Quantum chemical insight into proton transfer and structural rearrangements in reactions between HSO₄^-(H2O)_n and D₂O (abstract)

CTCC, Department of Chemistry, University of Tromsø

• Marco Anelli, Frequency-dependent magnetizability (abstract)
• Radovan Bast, Calculation of magneto-electric birefringences (abstract)
• Bruno Cardey, Ferriheme-nitrite interactions: Linkage Isomerism and Reaction with NO (abstract)
• Adam Chamberlin, The importance of relativistic effects on (hyper)polarizabilities (abstract)
• András Csehi
• Luca Frediani, (NKS member)
• Bin Gao, (NKS member), Gen1Int: An object-oriented library to evaluate one-electron integrals and their derivatives (abstract)
• Kathrin Hopmann, (NKS member)
• Stig Rune Jensen, (NKS member), Parallel performance of MRCPP (abstract)
• Dan Jonsson, (NKS member)
• Ying-Chan Lin
• Krzysztof Mozgawa, (NKS member)
• Vaclav Profant, Dependence of polyproline ROA on the peptide length (abstract)
• Magnus Ringholm, (NKS member), Analytic calculations of hyper-Raman spectra (abstract)
• Kenneth Ruud, (NKS member)
• Arnfinn Hykkerud Steindal, (NKS member)
• Petr Stepanek, Monitoring of molecular interactions by optical spectroscopies (abstract)
• Ville Weijo
• Clemens Woywod, (NKS member), On the systematic construction of vibronic coupling Hamiltonians (abstract)

SINTEF Materials and Chemistry

• Stefan Andersson, (NKS member), A combined quantum chemistry and computational fluid dynamics study of silicon dioxide and NO_x production in exhaust gas from silicon furnaces (abstract)
• Ole Martin Løvvik, Thermoelectric materials – electronic transport calculations and assessments of solubility and diffusivity (abstract)
• Eirik Falck da Silva
• Per-Erik Larsson

Department of Engineering Design and Materials, NTNU

• Christian Thaulow, Atomistic Modelling of Materials Failure (abstract)

Department of Structural Engineering, NTNU

• Jianyang Wu, Mechanical properties of polyethylene nanosphere: A molecular dynamics study (abstract)

Department of Chemical Engineering, NTNU

• Mayuri Gupta, Computational study of pKa and Carbamate stability constant values, for amines important in Post Combustion CO₂ Capture Process (abstract)

Department of Chemistry, NTNU

• Bjørn K. Alsberg
• Dick Bedeaux, Transport coefficients of n-butane into and through the surface of silicalite-1 from a non-equilibrium molecular dynamics study (abstract)
• Martin Folke Emdal
• Kirill Glavatskiy, Molecular simulations of gas hydrates (abstract)
• Eirik Hjertenes
• Signe Kjelstrup, (NKS member), Development of nonequilibrium thermodynamics theory using molecular dynamics simulations (abstract)
• Henrik Koch
• Alexander Kolstad
• Marie Jacobsen Lauvås
• Anders Lervik, Heat transfer in soft nanoscale interfaces (abstract)
• Miriam Mekki
• Rolf Heilemann Myhre
• Ragnhild Skorpa
• Maxime Van den Bossche
• Papy Zefaniya
• Per-Olof Åstrand, (NKS member)