Vishwesh Venkatraman
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) 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).
- (2019) Rapid, comprehensive screening of ionic liquids towards sustainable applications. Sustainable Energy & Fuels. vol. 3 (10).
- (2019) Establishing Predictive Models for Solvatochromic Parameters of Ionic Liquids. Frontiers in Chemistry. vol. 7.
- (2019) Prediction of Absorption Spectrum Shifts in Dyes Adsorbed on Titania. Scientific Reports. vol. 9 (1).
- (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.