Bakgrunn og aktiviteter
Min forskning fokuserer på design og utvikling av verktøy for datamaskinstøttet design av materialer som brukes på solceller, batterier, organisk elektronikk og drug design. Som en del av denne innsatsen bruker jeg en kombinasjon av kvantkemi og datavitenskap for å utforske det store kjemiske rommet. For en komplett liste over publikasjoner, se https://scholar.google.com/citations?user=BcIvu10AAAAJ&hl=en
Vitenskapelig, faglig og kunstnerisk arbeid
Et utvalg av nyere tidsskriftspublikasjoner, kunstneriske produksjoner, bok, inklusiv bokdeler og rapport-del. Se alle publikasjoner i databasen
Tidsskriftspublikasjoner
- (2019) Benzotriazoles, Benzothiazoles and Trace Elements in an Urban Road Setting in Trondheim, Norway: Re-Visiting the Chemical Markers of Traffic Pollution. Science of the Total Environment. vol. 649.
- (2019) The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents. Data. vol. 4 (2).
- (2018) The dye-sensitized solar cell database. Journal of Cheminformatics. vol. 10:18.
- (2018) Local initiation conditions for water autoionization. Proceedings of the National Academy of Sciences of the United States of America. vol. 115 (20).
- (2018) Designing High-Refractive Index Polymers Using Materials Informatics. Polymers. vol. 10 (1).
- (2018) Predicting ionic liquid melting points using machine learning. Journal of Molecular Liquids. vol. 264.
- (2018) In silico prediction and experimental verification of ionic liquid refractive indices. Journal of Molecular Liquids. vol. 264.
- (2017) Predicting CO2 capture of ionic liquids using machine learning. Journal of CO2 Utilization. vol. 21.
- (2016) TD-DFT based fine-tuning of molecular excitation energies using evolutionary algorithms. RSC Advances. vol. 6.
- (2016) KRAKENX: software for the generation of alignment-independent 3D descriptors. Journal of Molecular Modeling. vol. 22 (4).
- (2016) Quantitative structure-property relationship modelling of thermal decomposition temperatures of ionic liquids. Journal of Molecular Liquids. vol. 223.
- (2016) Computer-aided molecular design of imidazole-based absorbents for CO2 capture. International Journal of Greenhouse Gas Control. vol. 49.
- (2015) Artificial evolution of coumarin dyes for dye sensitized solar cells. Physical Chemistry, Chemical Physics - PCCP. vol. 17 (41).
- (2015) Can chemometrics be used to guide the selection of suitable DFT functionals?. Chemometrics and Intelligent Laboratory Systems. vol. 142.
- (2015) A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes. Dyes and pigments. vol. 114 (C).
- (2015) Evolutionary de novo design of phenothiazine derivatives for dye-sensitized solar cells. Journal of Materials Chemistry A. vol. 3 (18).
- (2014) Automated design of realistic organometallic molecules from fragments. Journal of Chemical Information and Modeling. vol. 54 (3).
- (2014) Automated building of organometallic complexes from 3D fragments. Journal of Chemical Information and Modeling. vol. 54 (7).
- (2014) Quantitative structure-property relationship modeling of Grätzel solar cell dyes. Journal of Computational Chemistry. vol. 35 (3).
- (2012) Exploring c-Met kinase flexibility by sampling and clustering its conformational space. Proteins: Structure, Function, and Bioinformatics. vol. 80 (4).