Ida-Marie Høyvik
+4773596957
Realfagbygget, D3-139, Gløshaugen
About
Research
My research is focused at developing electronic-structure models for molecular systems. Previously my research was directed towards low-scaling and multilevel approaches in mean-field and correlated (coupled cluster) approaches, but I am currently working on developing wave function models for systems where electron number is not a conserved quantity.
In a project funded by the Research Council of Norway I am developing particle-breaking wave functions for molecules involved in electron transport. With funding from Center for Advanced Study (CAS) as a Young CAS Fellow 2022-2024 I am exploring how to exploit the particle-breaking framework for redox processes.
Competencies
Publications
2024
-
Paul, Regina;
Folkestad, Sarai Dery;
Sannes, Bendik Støa;
Høyvik, Ida-Marie.
(2024)
Particle-Breaking Unrestricted Hartree-Fock Theory for Open Molecular Systems.
Journal of Physical Chemistry A
Academic article
2023
-
Skeidsvoll, Andreas Sæther;
Koch, Henrik;
Høyvik, Ida-Marie.
(2023)
Real-time coupled-cluster approaches for electronic multiphoton processes in atoms and molecules.
Doctoral theses at NTNU (227)
Doctoral dissertation
-
Matveeva, Regina;
Folkestad, Sarai Dery;
Høyvik, Ida-Marie.
(2023)
Particle-breaking Hartree-Fock Theory for open molecular systems.
Journal of Physical Chemistry A
Article in business/trade/industry journal
2022
-
Wiik, Kristine;
Høyvik, Ida-Marie;
Unneberg, Erik;
Jensen, Tomas Lunde;
Swang, Ole.
(2022)
Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study.
Journal of Physical Chemistry A
Academic article
-
Hutcheson, Anders;
Høyvik, Ida-Marie.
(2022)
Convergence of the electronic density for a target region in cluster models of a NH <inf>3</inf> molecular crystal.
Journal of Mathematical Chemistry
Academic article
-
Bolstad, Torstein;
Høyvik, Ida-Marie;
Lundheim, Lars Magne;
Nome, Morten Andreas;
Rønning, Frode.
(2022)
Study programme driven engineering education: interplay between mathematics and engineering subjects.
Teaching Mathematics and its Applications
Academic article
2021
-
Hutcheson, Anders;
Paul, Alexander Christian;
Myhre, Rolf Heilemann;
Koch, Henrik;
Høyvik, Ida-Marie.
(2021)
Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models.
Journal of Computational Chemistry
Academic article
-
Matveeva, Regina;
Erichsen, Merete Falck;
Koch, Henrik;
Høyvik, Ida-Marie.
(2021)
The effect of midbond functions on interaction energies computed using MP2 and CCSD(T).
Journal of Computational Chemistry
Academic article
-
Goletto, Linda;
Kjønstad, Eirik Fadum;
Folkestad, Sarai D.;
Høyvik, Ida-Marie;
Koch, Henrik.
(2021)
Linear-Scaling Implementation of Multilevel Hartree-Fock Theory.
Journal of Chemical Theory and Computation
Academic article
2020
-
Folkestad, Sarai Dery;
Kjønstad, Eirik Fadum;
Myhre, Rolf Heilemann;
Andersen, Josefine;
Balbi, Alice;
Coriani, Sonia.
(2020)
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.
Journal of Chemical Physics
Academic article
-
Høyvik, Ida-Marie.
(2020)
The spectrum of the atomic orbital overlap matrix and the locality of the virtual electronic density matrix.
Molecular Physics
Academic article
-
Koch, Henrik;
Andersen, Josefine;
Balbi, Alice;
Coriani, Sonia;
Folkestad, Sarai Dery;
Giovannini, Tommaso.
(2020)
eT - an electronic structure program.
Software
2019
-
Høyvik, Ida-Marie.
(2019)
Convergence acceleration for the multilevel Hartree-Fock model.
Molecular Physics
Academic article
2017
-
Vinje, Jakob;
Falck, Merete;
Mazzola, Federico;
Cooil, Simon Phillip;
Koch, Henrik;
Høyvik, Ida-Marie.
(2017)
Tautomerization of thymine using ultraviolet light.
Langmuir
Academic article
-
Sæther, Sandra;
Kjærgaard, Thomas;
Koch, Henrik;
Høyvik, Ida-Marie.
(2017)
Density-Based Multilevel Hartree-Fock Model.
Journal of Chemical Theory and Computation
Academic article
-
Høyvik, Ida-Marie;
Heilemann Myhre, Rolf;
Koch, Henrik.
(2017)
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models.
Journal of Chemical Physics
Academic article
2016
-
Høyvik, Ida-Marie;
Jørgensen, Poul;
Olsen, Jeppe.
(2016)
Generalising localisation schemes of orthogonal orbitals to the localisation of non-orthogonal orbitals.
Molecular Physics
Academic article
-
Kjønstad, Eirik F.;
Koch, Henrik;
Høyvik, Ida-Marie.
(2016)
Symmetric Coupled Cluster Theory.
NTNU-IKJ
Masters thesis
-
Folkestad, Sarai Dery;
Høyvik, Ida-Marie.
(2016)
Coupled Cluster for High-Spin Open-Shell Systems.
NTNU-IKJ
Masters thesis
-
Falck, Merete;
Høyvik, Ida-Marie;
Koch, Henrik.
(2016)
A Study of Thymine to Support Experimentalists.
NTNU-IKJ
Masters thesis
-
Dundas, Karen Oda Hjorth;
Høyvik, Ida-Marie;
Koch, Henrik.
(2016)
Density-Based Formulation of Multi-Level Hartree-Fock Theory.
NTNU, IKJ
Masters thesis
-
Stakvik, Linda;
Høyvik, Ida-Marie;
Koch, Henrik.
(2016)
Using Localized Molecular Orbitals in the Multi-level Coupled Cluster Approach.
NTNU, IKJ
Masters thesis
-
Høyvik, Ida-Marie;
Jørgensen, Poul.
(2016)
Characterization and generation of local occupied and virtual Hartree-Fock orbitals.
Chemical Reviews
Academic literature review
2014
-
Høyvik, Ida-Marie;
Kristensen, Kasper;
Kjærgaard, Thomas;
Jørgensen, Poul.
(2014)
A perspective on the localizability of Hartree-Fock orbitals.
Theoretical Chemistry Accounts
Academic article
2013
-
Kristensen, Kasper;
Kjærgaard, Thomas;
Høyvik, Ida-Marie;
Ettenhuber, Patrick;
Jørgensen, Poul;
Jansik, Branislav.
(2013)
The divide-expand-consolidate MP2 scheme goes massively parallel.
Molecular Physics
Academic article
-
Høyvik, Ida-Marie;
Jørgensen, Poul.
(2013)
Localized orbitals from basis sets augmented with diffuse functions.
Journal of Chemical Physics
Academic article
-
Høyvik, Ida-Marie;
Jansik, Branislav;
Kristensen, Kasper;
Jørgensen, Poul.
(2013)
Local Hartree-Fock orbitals using a three-level optimization strategy for the energy.
Journal of Computational Chemistry
Academic article
-
Høyvik, Ida-Marie.
(2013)
Local Hartree-Fock orbitals; characterization, structure and optimization.
Aarhus Universitetsforlag
Aarhus Universitetsforlag
Doctoral dissertation
-
Høyvik, Ida-Marie;
Jansik, Branislav;
Jørgensen, Poul.
(2013)
Pipek-Mezey localization of occupied and virtual orbitals.
Journal of Computational Chemistry
Academic article
2012
-
Høyvik, Ida-Marie;
Jørgensen, Poul;
Jansik, Branislav.
(2012)
Trust-region minimization of orbital localization functions.
Journal of Chemical Theory and Computation
Academic article
-
Høyvik, Ida-Marie;
Kristensen, Kasper;
Jansik, Branislav;
Jørgensen, Poul.
(2012)
The divide-expand-consolidate family of coupled cluster methods: numerical illustrations using second order Møller-Plesset perturbation theory.
Journal of Chemical Physics
Academic article
-
Høyvik, Ida-Marie;
Jansik, Branislav;
Jørgensen, Poul.
(2012)
Orbital localization using fourth central moment minimization.
Journal of Chemical Physics
Academic article
-
Kristensen, Kasper;
Høyvik, Ida-Marie;
Jansik, Branislav;
Jørgensen, Poul;
Kjærgaard, Thomas;
Reine, Simen Sommerfelt.
(2012)
MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme.
Physical Chemistry, Chemical Physics - PCCP
Academic article
2010
-
Høyvik, Ida-Marie;
Koch, Henrik.
(2010)
Part A: Structures and conformational energies of selected fluoropropenes. Part B: Alternative forms of exchange correlation functionsals derived from pair-creation transformations.
NTNU, Institutt for kjemi
Masters thesis
2009
-
Sparta, Manuel;
Høyvik, Ida-Marie;
Toffoli, Daniele;
Christiansen, Ove.
(2009)
Potential Energy Surfaces for Vibrational Structure Calculations from a Multiresolution Adaptive Density-Guided Approach: Implementation and Test Calculations.
Journal of Physical Chemistry A
Academic article
Journal publications
-
Paul, Regina;
Folkestad, Sarai Dery;
Sannes, Bendik Støa;
Høyvik, Ida-Marie.
(2024)
Particle-Breaking Unrestricted Hartree-Fock Theory for Open Molecular Systems.
Journal of Physical Chemistry A
Academic article
-
Matveeva, Regina;
Folkestad, Sarai Dery;
Høyvik, Ida-Marie.
(2023)
Particle-breaking Hartree-Fock Theory for open molecular systems.
Journal of Physical Chemistry A
Article in business/trade/industry journal
-
Wiik, Kristine;
Høyvik, Ida-Marie;
Unneberg, Erik;
Jensen, Tomas Lunde;
Swang, Ole.
(2022)
Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study.
Journal of Physical Chemistry A
Academic article
-
Hutcheson, Anders;
Høyvik, Ida-Marie.
(2022)
Convergence of the electronic density for a target region in cluster models of a NH <inf>3</inf> molecular crystal.
Journal of Mathematical Chemistry
Academic article
-
Bolstad, Torstein;
Høyvik, Ida-Marie;
Lundheim, Lars Magne;
Nome, Morten Andreas;
Rønning, Frode.
(2022)
Study programme driven engineering education: interplay between mathematics and engineering subjects.
Teaching Mathematics and its Applications
Academic article
-
Hutcheson, Anders;
Paul, Alexander Christian;
Myhre, Rolf Heilemann;
Koch, Henrik;
Høyvik, Ida-Marie.
(2021)
Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models.
Journal of Computational Chemistry
Academic article
-
Matveeva, Regina;
Erichsen, Merete Falck;
Koch, Henrik;
Høyvik, Ida-Marie.
(2021)
The effect of midbond functions on interaction energies computed using MP2 and CCSD(T).
Journal of Computational Chemistry
Academic article
-
Goletto, Linda;
Kjønstad, Eirik Fadum;
Folkestad, Sarai D.;
Høyvik, Ida-Marie;
Koch, Henrik.
(2021)
Linear-Scaling Implementation of Multilevel Hartree-Fock Theory.
Journal of Chemical Theory and Computation
Academic article
-
Folkestad, Sarai Dery;
Kjønstad, Eirik Fadum;
Myhre, Rolf Heilemann;
Andersen, Josefine;
Balbi, Alice;
Coriani, Sonia.
(2020)
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.
Journal of Chemical Physics
Academic article
-
Høyvik, Ida-Marie.
(2020)
The spectrum of the atomic orbital overlap matrix and the locality of the virtual electronic density matrix.
Molecular Physics
Academic article
-
Høyvik, Ida-Marie.
(2019)
Convergence acceleration for the multilevel Hartree-Fock model.
Molecular Physics
Academic article
-
Vinje, Jakob;
Falck, Merete;
Mazzola, Federico;
Cooil, Simon Phillip;
Koch, Henrik;
Høyvik, Ida-Marie.
(2017)
Tautomerization of thymine using ultraviolet light.
Langmuir
Academic article
-
Sæther, Sandra;
Kjærgaard, Thomas;
Koch, Henrik;
Høyvik, Ida-Marie.
(2017)
Density-Based Multilevel Hartree-Fock Model.
Journal of Chemical Theory and Computation
Academic article
-
Høyvik, Ida-Marie;
Heilemann Myhre, Rolf;
Koch, Henrik.
(2017)
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models.
Journal of Chemical Physics
Academic article
-
Høyvik, Ida-Marie;
Jørgensen, Poul;
Olsen, Jeppe.
(2016)
Generalising localisation schemes of orthogonal orbitals to the localisation of non-orthogonal orbitals.
Molecular Physics
Academic article
-
Høyvik, Ida-Marie;
Jørgensen, Poul.
(2016)
Characterization and generation of local occupied and virtual Hartree-Fock orbitals.
Chemical Reviews
Academic literature review
-
Høyvik, Ida-Marie;
Kristensen, Kasper;
Kjærgaard, Thomas;
Jørgensen, Poul.
(2014)
A perspective on the localizability of Hartree-Fock orbitals.
Theoretical Chemistry Accounts
Academic article
-
Kristensen, Kasper;
Kjærgaard, Thomas;
Høyvik, Ida-Marie;
Ettenhuber, Patrick;
Jørgensen, Poul;
Jansik, Branislav.
(2013)
The divide-expand-consolidate MP2 scheme goes massively parallel.
Molecular Physics
Academic article
-
Høyvik, Ida-Marie;
Jørgensen, Poul.
(2013)
Localized orbitals from basis sets augmented with diffuse functions.
Journal of Chemical Physics
Academic article
-
Høyvik, Ida-Marie;
Jansik, Branislav;
Kristensen, Kasper;
Jørgensen, Poul.
(2013)
Local Hartree-Fock orbitals using a three-level optimization strategy for the energy.
Journal of Computational Chemistry
Academic article
-
Høyvik, Ida-Marie;
Jansik, Branislav;
Jørgensen, Poul.
(2013)
Pipek-Mezey localization of occupied and virtual orbitals.
Journal of Computational Chemistry
Academic article
-
Høyvik, Ida-Marie;
Jørgensen, Poul;
Jansik, Branislav.
(2012)
Trust-region minimization of orbital localization functions.
Journal of Chemical Theory and Computation
Academic article
-
Høyvik, Ida-Marie;
Kristensen, Kasper;
Jansik, Branislav;
Jørgensen, Poul.
(2012)
The divide-expand-consolidate family of coupled cluster methods: numerical illustrations using second order Møller-Plesset perturbation theory.
Journal of Chemical Physics
Academic article
-
Høyvik, Ida-Marie;
Jansik, Branislav;
Jørgensen, Poul.
(2012)
Orbital localization using fourth central moment minimization.
Journal of Chemical Physics
Academic article
-
Kristensen, Kasper;
Høyvik, Ida-Marie;
Jansik, Branislav;
Jørgensen, Poul;
Kjærgaard, Thomas;
Reine, Simen Sommerfelt.
(2012)
MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme.
Physical Chemistry, Chemical Physics - PCCP
Academic article
-
Sparta, Manuel;
Høyvik, Ida-Marie;
Toffoli, Daniele;
Christiansen, Ove.
(2009)
Potential Energy Surfaces for Vibrational Structure Calculations from a Multiresolution Adaptive Density-Guided Approach: Implementation and Test Calculations.
Journal of Physical Chemistry A
Academic article
Report
-
Skeidsvoll, Andreas Sæther;
Koch, Henrik;
Høyvik, Ida-Marie.
(2023)
Real-time coupled-cluster approaches for electronic multiphoton processes in atoms and molecules.
Doctoral theses at NTNU (227)
Doctoral dissertation
-
Kjønstad, Eirik F.;
Koch, Henrik;
Høyvik, Ida-Marie.
(2016)
Symmetric Coupled Cluster Theory.
NTNU-IKJ
Masters thesis
-
Folkestad, Sarai Dery;
Høyvik, Ida-Marie.
(2016)
Coupled Cluster for High-Spin Open-Shell Systems.
NTNU-IKJ
Masters thesis
-
Falck, Merete;
Høyvik, Ida-Marie;
Koch, Henrik.
(2016)
A Study of Thymine to Support Experimentalists.
NTNU-IKJ
Masters thesis
-
Dundas, Karen Oda Hjorth;
Høyvik, Ida-Marie;
Koch, Henrik.
(2016)
Density-Based Formulation of Multi-Level Hartree-Fock Theory.
NTNU, IKJ
Masters thesis
-
Stakvik, Linda;
Høyvik, Ida-Marie;
Koch, Henrik.
(2016)
Using Localized Molecular Orbitals in the Multi-level Coupled Cluster Approach.
NTNU, IKJ
Masters thesis
-
Høyvik, Ida-Marie.
(2013)
Local Hartree-Fock orbitals; characterization, structure and optimization.
Aarhus Universitetsforlag
Aarhus Universitetsforlag
Doctoral dissertation
-
Høyvik, Ida-Marie;
Koch, Henrik.
(2010)
Part A: Structures and conformational energies of selected fluoropropenes. Part B: Alternative forms of exchange correlation functionsals derived from pair-creation transformations.
NTNU, Institutt for kjemi
Masters thesis
PRODUKT
-
Koch, Henrik;
Andersen, Josefine;
Balbi, Alice;
Coriani, Sonia;
Folkestad, Sarai Dery;
Giovannini, Tommaso.
(2020)
eT - an electronic structure program.
Software
Teaching
Courses
Knowledge Transfer
2024
-
LectureTammen, Rene; de Wijn, Astrid S.; Eiser, Erika; Li, Ge; Høyvik, Ida-Marie; Xia, Lu. (2024) Sustainable Ground Stabilisation of Norwegian Quick Clay. InterPore 2024 16th Annual Meeting , Qingdao 2024-05-13 - 2024-05-16
-
LectureLi, Ge; de Wijn, Astrid S.; Eiser, Erika; Høyvik, Ida-Marie; Xia, Lu; Tammen, Rene. (2024) Molecular Dynamics Simulations of Porous Illite Clay Surfaces and Particles. InterPore 2024 16th Annual Meeting , Qingdao 2024-05-13 - 2024-05-16
2023
-
PosterWiik, Kristine; Høyvik, Ida-Marie; Unneberg, Erik; Jensen, Tomas Lunde; Swang, Ole. (2023) Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives – A DFT Study. 17th International Congress of Quantum Chemistry , Bratislava 2023-06-26 - 2023-07-01
2022
-
LectureRønning, Frode; Lundheim, Lars Magne; Nome, Morten Andreas; Bolstad, Torstein; Høyvik, Ida-Marie. (2022) Kopling mellom matematikk og ingeniørfag: basis for meistring. Læringsfestivalen 2022 , Trondheim 2022-05-09 -
-
LectureSwang, Ole; Høyvik, Ida-Marie; Unneberg, Erik; Jensen, Tomas Lunde; Wiik, Kristine. (2022) Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study. NKS' faggruppe for Faggruppe for kvantekjemi og modellering Annual Meeting of the Quantum and Computational Chemistry Chapter of the Norwegian Chemical Society , Bergen 2022-11-28 - 2022-11-29
2017
-
PosterFolkestad, Sarai Dery; Høyvik, Ida-Marie; Koch, Henrik. (2017) Multilevel coupled cluster theory for valence and core excited states. 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry 2017-08-27 - 2017-09-01
2016
-
Academic lectureHøyvik, Ida-Marie. (2016) Local Hartree--Fock orbitals and electronic properties of the molecule. International Society for Theoretical Chemical Physics 2016-07-17 - 2016-07-22
-
Academic lectureHøyvik, Ida-Marie. (2016) Molecular orbital density matrix based Hartree-Fock energy optimization. Magical mystery tour of electron correlation, in Honour of Jeppe Olsen , Oslo, Norge 2016-10-24 - 2016-10-26
2014
-
Academic lectureHøyvik, Ida-Marie. (2014) Orbital transformations for localizing non-orthogonal molecular orbitals. Det 20. landsmøte i kjemi (seksjonen for kvantekjemi og modellering) 2014-10-29 - 2014-10-30
2013
-
Academic lectureHøyvik, Ida-Marie. (2013) On the localizability of orthonormal occupied and virtual Hartree-Fock orbitals. The VIIIth Congress of the International Society of Theoretical Chemical Physics 2013-08-25 - 2013-08-31
-
Academic lectureHøyvik, Ida-Marie. (2013) Local occupied and virtual Hartree-Fock orbitals. 7th Molecular Quantum Mechanics Congress 2013-06-02 - 2013-06-07