Vishwesh Venkatraman
Background and activities
My research focuses on design and development of tools for the computer-aided design of materials applied to solar cells, batteries, organic electronics and drug design. As part of these efforts I use a combination of quantum chemistry and data science to explore the vast chemical space. For a complete list of my publications see https://scholar.google.com/citations?user=BcIvu10AAAAJ&hl=en
Scientific, academic and artistic work
A selection of recent journal publications, artistic productions, books, including book and report excerpts. See all publications in the database
Journal publications
- (2022) Occurrence of bisphenols and benzophenone UV filters in wild brown mussels (Perna perna) from Algoa Bay in South Africa. Science of the Total Environment. vol. 813.
- (2022) Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets. Frontiers in Pharmacology.
- (2021) Effect of thiophene-based π-spacers on N-arylphenothiazine dyes for dye-sensitized solar cells. Dyes and pigments. vol. 185.
- (2021) Systematic assessment of salivary inflammatory markers and dental caries in children: an exploratory study. Acta Odontologica Scandinavica.
- (2021) Adaptation of central metabolite pools to variations in growth rate and cultivation conditions in Saccharomyces cerevisiae. Microbial Cell Factories.
- (2021) FP-ADMET: a compendium of fingerprint-based ADMET prediction models. Journal of Cheminformatics. vol. 13.
- (2021) The utility of composition-based machine learning models for band gap prediction. Computational Materials Science. vol. 197.
- (2021) Rapid determination of thyroid hormones in blood plasma from Glaucous gulls and Baikal seals by HybridSPE®-LC-MS/MS. Journal of chromatography. B. vol. 1162.
- (2020) Chemical assessment of marine sediments in vicinity of Norwegian fish farms – A pilot study. Science of the Total Environment. vol. 732.
- (2020) Phthalate metabolites in harbor porpoises (Phocoena phocoena) from Norwegian coastal waters. Environment International. vol. 137.
- (2020) Evaluation of Molecular Fingerprints for Determining Dye Aggregation on Semiconductor Surfaces. Molecular Informatics. vol. 39.
- (2020) An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides. Data. vol. 5 (45).
- (2020) Synthesis of Novel 3,6-Dithienyl Diketopyrrolopyrrole Dyes by Direct C‒H Arylation. Molecules. vol. 25 (10).
- (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) DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules. Journal of Chemical Information and Modeling. vol. 59 (10).
- (2019) New dual functionalized zwitterions and ionic liquids; Synthesis and cellulose dissolution studies. Journal of Molecular Liquids. vol. 292.
- (2019) Hydroxyl Functionalized Pyridinium Ionic Liquids: Experimental and Theoretical Study on Physicochemical and Electrochemical Properties. Frontiers in Chemistry. vol. 7 (625).
- (2019) Highly efficient cellulose dissolution by alkaline ionic liquids. Carbohydrate Polymers. vol. 229.
- (2019) Influence of rate of salinity increase on nitrifying biofilms. Journal of Cleaner Production. vol. 238.
- (2019) The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents. Data. vol. 4 (2).