Research Projects

Here you find an overview of projects associated with the Hylleraas Centre.

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Research Council of Norway

In this table you see current and past RCN reseach projects led by members of the centre.

Title

Grant

Years

MNOK

Leader

RT

Affiliation

Hydrogen bond strengths for large molecules by local magnetically induced currents2315712014- 2018

4.0

Heike Fliegl 

UiO

"Eeny, meeny, miny, moe": Selectivity-determining factors in asymmetric catalysis2317062014- 2018

3.0

Kathrin Hopmann5

UiT

Molecular spin frustration2406742015- 2020

5.9

Erik Tellgren4

UiO

Coupled cluster methods for periodic systems2406982015- 2020

9.0

Thomas Bondo Pedersen1

UiO

Rational catalyst design for transforming CO2 into industrially attractive products: Formic acid, polycarbonates and polyurethanes.2500442016- 2020

7.1

Ainara Nova5

UiO

New Dimensions in Theoretical Multiphoton Spectroscopy2507432016- 2020

8.9

Kenneth Ruud3

UiT

Stochastic Methods for Molecular Chiroptical Properties2618732017- 2020

3.0

Roberto Di Remigio3

UiT

Hylleraas Centre for Quantum Molecular Sciences2626952017- 2027

146.0

Trygve Helgaker

1-6

UiO

Evolutionary Principles of Biocatalysts From Extreme Environments2748582018- 2024

13.0

Bjørn Olav Brandsdal6

UiT

Response theory for advanced spectroscopic experiments2749182018- 2021

3.1

Magnus Ringholm3

UiT

10th Congress of the International Society of Theoretical Chemical2869402019- 2020

0.23

Kenneth Ruud 

UiT

Error estimates for coupled-cluster methods, ground states and excited states2879062019- 2025

8.0

Andre Laestadius1

UiO

Magnetic Chemistry2879502019- 2023

10.0

Trygve Helgaker4

UiO

First-principles modeling of magnetic topological materials from relativistic hybrid density functional theory3018642020- 2023

3.4

Marius Kadek1,3

UiT

Revealing the Elusive World of Main-Group Organometallic Chemistry: An Adventure with Computational Chemistry3140092021- 2025

11.8

Michele Cascella2,5

UiO

Linear and Non-linear Response Properties and Spectroscopy of Solids from Relativistic TDDFT

 

3148142021- 2024

3.5

Lukas Konecny 

UiT

EPR and Paramagnetic NMR of Solids from Relativistic Two- and Four-Component Density-Functional Theory3158222021-2026

12.0

Kenneth Ruud 

UiT

Machine Learning Molecular Legos for Catalyst Discovery within Large Chemical Spaces 3250032021-202512.0David Balcells5,1UiO
SpecTraM: Accurate Prediction and Interpretation of NMR Spectra in Transition-Metal Complexes 3252312021-20257.9Abril C. Castro2,3,5UiO

Relativistic Multiresolution Chemistry: Heavy-Element Compounds at the Basis-Set Limit

 

3245902021-202712.0Luca Frediani1UiT

EU Research Framework Programme

In this table you see current and past EU research framework projects led by members of the centre.

Title

Grant

Years

MEUR

Leader

RT

Affiliation

Computational Modelling and Design of Sustainable Catalysts for Water Oxidation

618303

MC-CIG

2015- 2018

0.100

David Balcells

5

UiO

Bivariational Approximations in Quantum Mechanics and Applications to Quantum Chemistry

639508

ERC-STG

2015- 2018

1.499

Simen Kvaal

1

UiO

Hybrid Particle-Field Approach Including Electrostatics for Large-Scale Simulations of Biological Systems

704491

MSCA-IF

2016- 2018

0.196

Hima Bindu Kolli 

UiO

Spectra of Molecules in Strong Magnetic Fields

745336

MSCA-IF

2018- 2021

0.208

Sangita Sen

1,3

UiO

Relativistic and Dynamic effects in Computational NMR Spectroscopy of transition-metal complexes

794563

MSCA-IF

2019- 2021

0.196

Abril Carolina Castro Aguilera2,3,5

UiO

Cooperation towards a sustainable chemical industry

859910

MSCA-ITN

2020- 2024

4.156

Kathrin Hopmann

Ainara Nova

5

UiT and UiO

Other Sources

In this table you see current and past research projects from other sources led by members of the centre.

Title

Grant

Years

MNOK

Leader

RT

Affiliation

Molecules in Extreme EnvironmentsCAS2017- 2018 Trygve Helgaker

4

UiO

Do Electron Current Densities Determine All There Is to Know?YoungCAS2018 Andre Laestadius

1

UiO

Optical Probe Sensors at Biological EnvironmentsCPRU-2017/100082018- 2020

2

Kenneth Ruud

 

UiT

Sustainable Catalysts for Homogeneous CO2 Conversion (CHOCO)

A32676

TFS Starting Grant

2017- 2020

15

Kahtrin Hopmann

5

UiT

Nordic Consortium for CO2 Conversion (NCCO2)

85378

NordForsk

2018- 2023

21

Kahtrin Hopmann

Ainara Nova

5

UiT and UiO

Attosecond Quantum Dynamics Beyond the Born-Oppenheimer ApproximationCAS2021- 2022 

Simen Kvaal

Thomas Bondo Pedersen

1

UiO

Associated Projects

In this table you see current and past research projects associated with the centre.

Title

Grant

Years

MNOK

Leader

Involved Member

RT

Affiliation

Nano-Solvation in Hydrogen - Bonded clusters

205512

RCN

2011- 2017

6.5

Einar Uggerud  KI, UiO
The chemistry of CO2 activation and fixation

249788

RCN

2016- 2021

9.0

Einar Uggerud

 

3,5

KI, UiO
DL: Digital discovery of antimicrobial molecules from marine Arctic resources with reduced risk of triggering resistance

269425

RCN

2017- 2023

19.9

John Sigurd Svendsen

 

3

IK, UiT
GROW: Megan Mohadjer Beromi

297280

RCN

2017

0.05

Mats Tilset

 

5

KI, UiO
TRR-146 - Multiscale simulation methods for soft-matter systems

TRR 146

DFG

2018- 2022

90

Jürgen Gauss

Michele Cascella

2

JGU-Mainz
CATCH ME IF YOU CAN: Selective CO2 conversion via chiral CO2

300769

RCN

2020- 2024

12.0

Kathrin Hopmann

 

5

IK, UiT
Unravelling the secrets of Cu-based catalysts for C-H activation

856446

EU

2020- 2026

9.886

Unni Olsbye

David Balcells

5

KI, UiO
MOF Based Single-Site Cooperative Catalysis for CO2 Hydrogenation

314321

RCN

2021- 2024

11.9

Ainara Nova

 

5

SMN, UiO
Assembling against Resistance: Antimicrobial Nanoparticles through Molecular Self-assembly

315666

RCN

 

9.2

Reidar LundMichele Cascella KI, UiO
Paving the way for environmentally friendly electrochemistryCarl Zeiss Foundation2021- 2026

20

Siegfried WaldvogelMichele Cascella JGU-Mainz

Prosjektregnskap

Her kan du finne vårt prosjektregnskap (oppdateres fortløpende).

Published Feb. 17, 2021 4:37 PM - Last modified Nov. 26, 2025 11:00 AM