Vishwesh Venkatraman
Om
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
Publikasjoner
2023
-
Chaudhari, Ritu;
Venkatraman Vishwesh, X;
Ravi Kant, Chhaya.
(2023)
Analysis of photocurrent trends in hybrid PS-BiI3 composites for direct X-ray detector via linear regression model.
Composites Communications
Vitenskapelig artikkel
-
Venkatraman Vishwesh, X.
(2023)
FP-MAP: an extensive library of fingerprint-based molecular activity prediction tools.
Frontiers in Chemistry
Vitenskapelig artikkel
2022
-
Venkatraman, Vishwesh;
Colligan, Thomas;
Lesica, George;
Olson, Daniel;
Gaiser, Jeremiah;
Copeland, Connor.
(2022)
Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets.
Frontiers in Pharmacology
Vitenskapelig artikkel
-
Castro, Gabriela;
Fourie, Amarein J.;
Marlin, Danica;
Venkatraman, Vishwesh;
Villa Gonzalez, Susana;
Asimakopoulos, Alexandros.
(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
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Almeida Carvalho, Patricia.
(2022)
On the value of popular crystallographic databases for machine learning prediction of space groups
.
Acta Materialia
Vitenskapelig artikkel
2021
-
Kumar, Kanhaiya;
Venkatraman, Vishwesh;
Bruheim, Per.
(2021)
Adaptation of central metabolite pools to variations in growth rate and cultivation conditions in Saccharomyces cerevisiae.
Microbial Cell Factories
Vitenskapelig artikkel
-
Børsting, Torunn;
Venkatraman, Vishwesh;
Natland Fagerhaug, Tone;
Skeie, Marit Slåttelid;
Stafne, Signe Nilssen;
Feuerherm, Astrid Jullumstrø.
(2021)
Systematic assessment of salivary inflammatory markers and dental caries in children: an exploratory study.
Acta Odontologica Scandinavica
Vitenskapelig artikkel
-
Venkatraman, Vishwesh.
(2021)
The utility of composition-based machine learning models for band gap prediction.
Computational Materials Science
Vitenskapelig artikkel
-
Almenningen, David Moe;
Hansen, Henrik Erring;
Vold, Martin Furru;
Buene, Audun Formo;
Venkatraman, Vishwesh;
Sunde, Svein.
(2021)
Effect of thiophene-based π-spacers on N-arylphenothiazine dyes for dye-sensitized solar cells.
Dyes and pigments
Vitenskapelig artikkel
-
Venkatraman, Vishwesh.
(2021)
FP-ADMET: a compendium of fingerprint-based ADMET prediction models.
Journal of Cheminformatics
Vitenskapelig artikkel
-
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Mortensen, Åse-Karen;
Ciesielski, Tomasz Maciej;
Farkas, Julia;
Venkatraman, Vishwesh.
(2021)
Rapid determination of thyroid hormones in blood plasma from Glaucous gulls and Baikal seals by HybridSPE®-LC-MS/MS.
Journal of chromatography. B
Vitenskapelig artikkel
2020
-
Venkatraman Vishwesh, X;
Oakes, kelly.
(2020)
Machine Learning for Materials.
Nettsider (opplysningsmateriale)
-
Venkatraman, Vishwesh.
(2020)
Evaluation of Molecular Fingerprints for Determining Dye Aggregation on Semiconductor Surfaces.
Molecular Informatics
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Kallidanthiyil Chellappan, Lethesh.
(2020)
An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides .
Data
Vitenskapelig artikkel
-
Aslam, Shazia Nusrat;
Venzi, Marco Skibnes;
Venkatraman, Vishwesh;
Mikkelsen, Øyvind.
(2020)
Chemical assessment of marine sediments in vicinity of Norwegian fish farms – A pilot study.
Science of the Total Environment
Vitenskapelig artikkel
-
Yemene, Amsalu Efrem;
Venkatraman, Vishwesh;
Almenningen, David Moe;
Gautun, Odd Reidar;
Hoff, Bård Helge.
(2020)
Synthesis of Novel 3,6-Dithienyl Diketopyrrolopyrrole Dyes by Direct C‒H Arylation.
Molecules
Vitenskapelig artikkel
-
Rian, May Britt;
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Ciesielski, Tomasz Maciej;
Venkatraman, Vishwesh;
Lindstrøm, Ulf.
(2020)
Phthalate metabolites in harbor porpoises (Phocoena phocoena) from Norwegian coastal waters.
Environment International
Vitenskapelig artikkel
2019
-
Asheim, Johannes;
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Lierhagen, Syverin;
Venkatraman, Vishwesh;
Veivåg, Inga-Loise S..
(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
Vitenskapelig artikkel
-
Kallidanthiyil Chellappan, Lethesh;
Evjen, Sigvart;
Venkatraman, Vishwesh;
Syed, Nasir Shah;
Fiksdahl, Anne.
(2019)
Highly efficient cellulose dissolution by alkaline ionic liquids.
Carbohydrate Polymers
Vitenskapelig artikkel
-
Fjeldstad, Christopher;
Åstrand, Per-Olof;
Venkatraman, Vishwesh.
(2019)
Datadrevet Prediksjon av Båndgap for Multielement Krystallinske Materialer .
NTNU
Mastergradsoppgave
-
Venkatraman, Vishwesh;
Kallidanthiyil Chellappan, Lethesh.
(2019)
Establishing Predictive Models for Solvatochromic Parameters of Ionic Liquids.
Frontiers in Chemistry
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Evjen, Sigvart;
Kallidanthiyil Chellappan, Lethesh;
Raj, Jaganathan Joshua;
Knuutila, Hanna K;
Fiksdahl, Anne.
(2019)
Rapid, comprehensive screening of ionic liquids towards sustainable applications .
Sustainable Energy & Fuels
Vitenskapelig artikkel
-
Navada, Sharada;
Vadstein, Olav;
Tveten, Ann-Kristin;
Verstege, Gerhardus C.;
Terjesen, Bendik Fyhn;
Mota, Vasco C..
(2019)
Influence of rate of salinity increase on nitrifying biofilms.
Journal of Cleaner Production
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Evjen, Sigvart;
Kallidanthiyil Chellappan, Lethesh.
(2019)
The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents.
Data
Vitenskapelig artikkel
-
Foscato, Marco;
Venkatraman, Vishwesh;
Jensen, Vidar Remi;
Alsberg, Bjørn Kåre.
(2019)
DE Novo OPTimization of In/organic Molecules (DENOPTIM).
Programvare
-
Foscato, Marco;
Venkatraman, Vishwesh;
Jensen, Vidar Remi.
(2019)
DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules.
Journal of Chemical Information and Modeling
Vitenskapelig artikkel
-
Grøssereid, Ingrid;
Kallidanthiyil Chellappan, Lethesh;
Venkatraman, Vishwesh;
Fiksdahl, Anne.
(2019)
New dual functionalized zwitterions and ionic liquids; Synthesis and cellulose dissolution studies.
Journal of Molecular Liquids
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Yemene, Amsalu Efrem;
De Mello, John Christian.
(2019)
Prediction of Absorption Spectrum Shifts in Dyes Adsorbed on Titania.
Scientific Reports
Vitenskapelig artikkel
-
Kallidanthiyil Chellappan, Lethesh;
Evjen, Sigvart;
Raj, Jaganathan Joshua;
Roux, Denis C. D.;
Venkatraman, Vishwesh;
Jayasayee, Kaushik.
(2019)
Hydroxyl Functionalized Pyridinium
Ionic Liquids: Experimental and
Theoretical Study on
Physicochemical and
Electrochemical Properties.
Frontiers in Chemistry
Vitenskapelig artikkel
2018
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2018)
Designing high-refractive index polymers using materials informatics.
Polymers
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Raju, Rajesh;
Economopoulos, Solon;
Alsberg, Bjørn Kåre.
(2018)
The dye-sensitized solar cell database.
Journal of Cheminformatics
Vitenskapelig artikkel
-
Moqadam, Mahmoud;
Lervik, Anders;
Riccardi, Enrico;
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre;
van Erp, Titus Sebastiaan.
(2018)
Local initiation conditions for water autoionization.
Proceedings of the National Academy of Sciences of the United States of America
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Evjen, Sigvart;
Knuutila, Hanna K;
Fiksdahl, Anne;
Alsberg, Bjørn Kåre.
(2018)
Predicting ionic liquid melting points using machine learning.
Journal of Molecular Liquids
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Jaganathan, Joshua Raj;
Evjen, Sigvart;
Kallidanthiyil Chellappan, Lethesh;
Fiksdahl, Anne.
(2018)
In silico prediction and experimental verification of ionic liquid refractive indices.
Journal of Molecular Liquids
Vitenskapelig artikkel
2017
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2017)
Predicting CO2 capture of ionic liquids using machine learning.
Journal of CO2 Utilization
Vitenskapelig artikkel
2016
-
Abburu, Sailesh;
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
TD-DFT based fine-tuning of molecular excitation energies using evolutionary algorithms.
RSC Advances
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
KRAKENX: software for the generation of alignment-independent 3D descriptors.
Journal of Molecular Modeling
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Gupta, Mayuri;
Foscato, Marco;
Svendsen, Hallvard Fjøsne;
Jensen, Vidar Remi;
Alsberg, Bjørn Kåre.
(2016)
Computer-aided molecular design of imidazole-based absorbents for
CO2 capture.
International Journal of Greenhouse Gas Control
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
Quantitative structure-property relationship modelling of thermal decomposition temperatures of ionic liquids.
Journal of Molecular Liquids
Vitenskapelig artikkel
2015
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2015)
A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes.
Dyes and pigments
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Abburu, Sailesh;
Alsberg, Bjørn Kåre.
(2015)
Can chemometrics be used to guide the selection of suitable DFT functionals?.
Chemometrics and Intelligent Laboratory Systems
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Foscato, Marco;
Jensen, Vidar Remi;
Alsberg, Bjørn Kåre.
(2015)
Evolutionary de novo design of phenothiazine derivatives for dye-sensitized solar cells
.
Journal of Materials Chemistry A
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Abburu, Sailesh;
Alsberg, Bjørn Kåre.
(2015)
Artificial evolution of coumarin dyes for dye sensitized solar cells.
Physical Chemistry, Chemical Physics - PCCP
Vitenskapelig artikkel
2014
-
Foscato, Marco;
Occhipinti, Giovanni;
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre;
Jensen, Vidar Remi.
(2014)
Automated design of realistic organometallic molecules from fragments.
Journal of Chemical Information and Modeling
Vitenskapelig artikkel
-
Foscato, Marco;
Venkatraman, Vishwesh;
Occhipinti, Giovanni;
Alsberg, Bjørn Kåre;
Jensen, Vidar Remi.
(2014)
Automated building of organometallic complexes from 3D fragments.
Journal of Chemical Information and Modeling
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Åstrand, Per-Olof;
Alsberg, Bjørn Kåre.
(2014)
Quantitative structure-property relationship modeling of Grätzel solar cell dyes.
Journal of Computational Chemistry
Vitenskapelig artikkel
2012
-
Asses, Yasmine;
Venkatraman, Vishwesh;
Leroux, Vincent;
Ritchie, David W.;
Maigret, Bernard.
(2012)
Exploring c-Met kinase flexibility by sampling and clustering its conformational space.
Proteins: Structure, Function, and Bioinformatics
Vitenskapelig artikkel
-
Ritchie, David W.;
Ghoorah, AW;
Mavridis, L;
Venkatraman, Vishwesh.
(2012)
Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity.
Bioinformatics
Vitenskapelig artikkel
Tidsskriftspublikasjoner
-
Chaudhari, Ritu;
Venkatraman Vishwesh, X;
Ravi Kant, Chhaya.
(2023)
Analysis of photocurrent trends in hybrid PS-BiI3 composites for direct X-ray detector via linear regression model.
Composites Communications
Vitenskapelig artikkel
-
Venkatraman Vishwesh, X.
(2023)
FP-MAP: an extensive library of fingerprint-based molecular activity prediction tools.
Frontiers in Chemistry
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Colligan, Thomas;
Lesica, George;
Olson, Daniel;
Gaiser, Jeremiah;
Copeland, Connor.
(2022)
Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets.
Frontiers in Pharmacology
Vitenskapelig artikkel
-
Castro, Gabriela;
Fourie, Amarein J.;
Marlin, Danica;
Venkatraman, Vishwesh;
Villa Gonzalez, Susana;
Asimakopoulos, Alexandros.
(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
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Almeida Carvalho, Patricia.
(2022)
On the value of popular crystallographic databases for machine learning prediction of space groups
.
Acta Materialia
Vitenskapelig artikkel
-
Kumar, Kanhaiya;
Venkatraman, Vishwesh;
Bruheim, Per.
(2021)
Adaptation of central metabolite pools to variations in growth rate and cultivation conditions in Saccharomyces cerevisiae.
Microbial Cell Factories
Vitenskapelig artikkel
-
Børsting, Torunn;
Venkatraman, Vishwesh;
Natland Fagerhaug, Tone;
Skeie, Marit Slåttelid;
Stafne, Signe Nilssen;
Feuerherm, Astrid Jullumstrø.
(2021)
Systematic assessment of salivary inflammatory markers and dental caries in children: an exploratory study.
Acta Odontologica Scandinavica
Vitenskapelig artikkel
-
Venkatraman, Vishwesh.
(2021)
The utility of composition-based machine learning models for band gap prediction.
Computational Materials Science
Vitenskapelig artikkel
-
Almenningen, David Moe;
Hansen, Henrik Erring;
Vold, Martin Furru;
Buene, Audun Formo;
Venkatraman, Vishwesh;
Sunde, Svein.
(2021)
Effect of thiophene-based π-spacers on N-arylphenothiazine dyes for dye-sensitized solar cells.
Dyes and pigments
Vitenskapelig artikkel
-
Venkatraman, Vishwesh.
(2021)
FP-ADMET: a compendium of fingerprint-based ADMET prediction models.
Journal of Cheminformatics
Vitenskapelig artikkel
-
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Mortensen, Åse-Karen;
Ciesielski, Tomasz Maciej;
Farkas, Julia;
Venkatraman, Vishwesh.
(2021)
Rapid determination of thyroid hormones in blood plasma from Glaucous gulls and Baikal seals by HybridSPE®-LC-MS/MS.
Journal of chromatography. B
Vitenskapelig artikkel
-
Venkatraman, Vishwesh.
(2020)
Evaluation of Molecular Fingerprints for Determining Dye Aggregation on Semiconductor Surfaces.
Molecular Informatics
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Kallidanthiyil Chellappan, Lethesh.
(2020)
An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides .
Data
Vitenskapelig artikkel
-
Aslam, Shazia Nusrat;
Venzi, Marco Skibnes;
Venkatraman, Vishwesh;
Mikkelsen, Øyvind.
(2020)
Chemical assessment of marine sediments in vicinity of Norwegian fish farms – A pilot study.
Science of the Total Environment
Vitenskapelig artikkel
-
Yemene, Amsalu Efrem;
Venkatraman, Vishwesh;
Almenningen, David Moe;
Gautun, Odd Reidar;
Hoff, Bård Helge.
(2020)
Synthesis of Novel 3,6-Dithienyl Diketopyrrolopyrrole Dyes by Direct C‒H Arylation.
Molecules
Vitenskapelig artikkel
-
Rian, May Britt;
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Ciesielski, Tomasz Maciej;
Venkatraman, Vishwesh;
Lindstrøm, Ulf.
(2020)
Phthalate metabolites in harbor porpoises (Phocoena phocoena) from Norwegian coastal waters.
Environment International
Vitenskapelig artikkel
-
Asheim, Johannes;
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Lierhagen, Syverin;
Venkatraman, Vishwesh;
Veivåg, Inga-Loise S..
(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
Vitenskapelig artikkel
-
Kallidanthiyil Chellappan, Lethesh;
Evjen, Sigvart;
Venkatraman, Vishwesh;
Syed, Nasir Shah;
Fiksdahl, Anne.
(2019)
Highly efficient cellulose dissolution by alkaline ionic liquids.
Carbohydrate Polymers
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Kallidanthiyil Chellappan, Lethesh.
(2019)
Establishing Predictive Models for Solvatochromic Parameters of Ionic Liquids.
Frontiers in Chemistry
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Evjen, Sigvart;
Kallidanthiyil Chellappan, Lethesh;
Raj, Jaganathan Joshua;
Knuutila, Hanna K;
Fiksdahl, Anne.
(2019)
Rapid, comprehensive screening of ionic liquids towards sustainable applications .
Sustainable Energy & Fuels
Vitenskapelig artikkel
-
Navada, Sharada;
Vadstein, Olav;
Tveten, Ann-Kristin;
Verstege, Gerhardus C.;
Terjesen, Bendik Fyhn;
Mota, Vasco C..
(2019)
Influence of rate of salinity increase on nitrifying biofilms.
Journal of Cleaner Production
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Evjen, Sigvart;
Kallidanthiyil Chellappan, Lethesh.
(2019)
The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents.
Data
Vitenskapelig artikkel
-
Foscato, Marco;
Venkatraman, Vishwesh;
Jensen, Vidar Remi.
(2019)
DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules.
Journal of Chemical Information and Modeling
Vitenskapelig artikkel
-
Grøssereid, Ingrid;
Kallidanthiyil Chellappan, Lethesh;
Venkatraman, Vishwesh;
Fiksdahl, Anne.
(2019)
New dual functionalized zwitterions and ionic liquids; Synthesis and cellulose dissolution studies.
Journal of Molecular Liquids
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Yemene, Amsalu Efrem;
De Mello, John Christian.
(2019)
Prediction of Absorption Spectrum Shifts in Dyes Adsorbed on Titania.
Scientific Reports
Vitenskapelig artikkel
-
Kallidanthiyil Chellappan, Lethesh;
Evjen, Sigvart;
Raj, Jaganathan Joshua;
Roux, Denis C. D.;
Venkatraman, Vishwesh;
Jayasayee, Kaushik.
(2019)
Hydroxyl Functionalized Pyridinium
Ionic Liquids: Experimental and
Theoretical Study on
Physicochemical and
Electrochemical Properties.
Frontiers in Chemistry
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2018)
Designing high-refractive index polymers using materials informatics.
Polymers
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Raju, Rajesh;
Economopoulos, Solon;
Alsberg, Bjørn Kåre.
(2018)
The dye-sensitized solar cell database.
Journal of Cheminformatics
Vitenskapelig artikkel
-
Moqadam, Mahmoud;
Lervik, Anders;
Riccardi, Enrico;
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre;
van Erp, Titus Sebastiaan.
(2018)
Local initiation conditions for water autoionization.
Proceedings of the National Academy of Sciences of the United States of America
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Evjen, Sigvart;
Knuutila, Hanna K;
Fiksdahl, Anne;
Alsberg, Bjørn Kåre.
(2018)
Predicting ionic liquid melting points using machine learning.
Journal of Molecular Liquids
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Jaganathan, Joshua Raj;
Evjen, Sigvart;
Kallidanthiyil Chellappan, Lethesh;
Fiksdahl, Anne.
(2018)
In silico prediction and experimental verification of ionic liquid refractive indices.
Journal of Molecular Liquids
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2017)
Predicting CO2 capture of ionic liquids using machine learning.
Journal of CO2 Utilization
Vitenskapelig artikkel
-
Abburu, Sailesh;
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
TD-DFT based fine-tuning of molecular excitation energies using evolutionary algorithms.
RSC Advances
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
KRAKENX: software for the generation of alignment-independent 3D descriptors.
Journal of Molecular Modeling
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Gupta, Mayuri;
Foscato, Marco;
Svendsen, Hallvard Fjøsne;
Jensen, Vidar Remi;
Alsberg, Bjørn Kåre.
(2016)
Computer-aided molecular design of imidazole-based absorbents for
CO2 capture.
International Journal of Greenhouse Gas Control
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
Quantitative structure-property relationship modelling of thermal decomposition temperatures of ionic liquids.
Journal of Molecular Liquids
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2015)
A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes.
Dyes and pigments
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Abburu, Sailesh;
Alsberg, Bjørn Kåre.
(2015)
Can chemometrics be used to guide the selection of suitable DFT functionals?.
Chemometrics and Intelligent Laboratory Systems
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Foscato, Marco;
Jensen, Vidar Remi;
Alsberg, Bjørn Kåre.
(2015)
Evolutionary de novo design of phenothiazine derivatives for dye-sensitized solar cells
.
Journal of Materials Chemistry A
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Abburu, Sailesh;
Alsberg, Bjørn Kåre.
(2015)
Artificial evolution of coumarin dyes for dye sensitized solar cells.
Physical Chemistry, Chemical Physics - PCCP
Vitenskapelig artikkel
-
Foscato, Marco;
Occhipinti, Giovanni;
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre;
Jensen, Vidar Remi.
(2014)
Automated design of realistic organometallic molecules from fragments.
Journal of Chemical Information and Modeling
Vitenskapelig artikkel
-
Foscato, Marco;
Venkatraman, Vishwesh;
Occhipinti, Giovanni;
Alsberg, Bjørn Kåre;
Jensen, Vidar Remi.
(2014)
Automated building of organometallic complexes from 3D fragments.
Journal of Chemical Information and Modeling
Vitenskapelig artikkel
-
Venkatraman, Vishwesh;
Åstrand, Per-Olof;
Alsberg, Bjørn Kåre.
(2014)
Quantitative structure-property relationship modeling of Grätzel solar cell dyes.
Journal of Computational Chemistry
Vitenskapelig artikkel
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Asses, Yasmine;
Venkatraman, Vishwesh;
Leroux, Vincent;
Ritchie, David W.;
Maigret, Bernard.
(2012)
Exploring c-Met kinase flexibility by sampling and clustering its conformational space.
Proteins: Structure, Function, and Bioinformatics
Vitenskapelig artikkel
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Ritchie, David W.;
Ghoorah, AW;
Mavridis, L;
Venkatraman, Vishwesh.
(2012)
Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity.
Bioinformatics
Vitenskapelig artikkel
Rapport
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Fjeldstad, Christopher;
Åstrand, Per-Olof;
Venkatraman, Vishwesh.
(2019)
Datadrevet Prediksjon av Båndgap for Multielement Krystallinske Materialer .
NTNU
Mastergradsoppgave
PRODUKT
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Foscato, Marco;
Venkatraman, Vishwesh;
Jensen, Vidar Remi;
Alsberg, Bjørn Kåre.
(2019)
DE Novo OPTimization of In/organic Molecules (DENOPTIM).
Programvare
INFORMASJONSMATR
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Venkatraman Vishwesh, X;
Oakes, kelly.
(2020)
Machine Learning for Materials.
Nettsider (opplysningsmateriale)
Formidling
2022
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PosterVenkatraman, Vishwesh. (2022) SPADE: A Fast and Accurate Estimation of Entropy from the Molecular Surface Properties. 36th Annual Symposium of The Protein Society , San Francisco 2022-07-07 - 2022-07-10
2021
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Vitenskapelig foredragVenkatraman, Vishwesh. (2021) Composition-driven Machine Learning of Space Groups. Advances in Smart Materials and Emerging Technologies 2021-12-20 - 2021-12-21
2017
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Vitenskapelig foredragVenkatraman, Vishwesh. (2017) Equation Discovery with Genetic Programming. NTNU Virtual Simulation Lab , Trondheim 2017-02-23 - 2017-02-23
2015
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Vitenskapelig foredragFoscato, Marco; Occhipinti, Giovanni; Jensen, Vidar Remi; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre. (2015) Automated design of realistic organometallic complexes and catalysts. American Chemical Society 249th ACS National Meeting & Exposition , Denver, CO 2015-03-22 - 2015-03-26
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Vitenskapelig foredragAlsberg, Bjørn Kåre; Venkatraman, Vishwesh. (2015) Artificial evolution of coumarin dyes for dye sensitized solar cells. Swedish Consortium for Artificial Photosynthesis 1st International Solar Fuels Conference (ISF-1) , Uppsala 2015-04-26 -
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PosterBouza, Pablo Julian Murray; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre. (2015) Chirality sensitive and Aligment free Atoms-In-Molecules(AIM) descriptors. Chemistry-Information-Computers division (CIC) of the German EUCO-CC 2015 , Fulda 2015-08-31 - 2015-09-03
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Faglig foredragVenkatraman, Vishwesh; Gupta, Mayuri; Foscato, Marco; Jensen, Vidar Remi; Svendsen, Hallvard Fjøsne; Alsberg, Bjørn Kåre. (2015) Evolutionary de novo design of absorbents for CO2 capture. International Symposium on Green Chemistry , La Rochelle 2015-05-03 - 2015-05-07
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PosterVenkatraman, Vishwesh; Gupta, Mayuri; Foscato, Marco; Jensen, Vidar Remi; Svendsen, Hallvard Fjøsne; Alsberg, Bjørn Kåre. (2015) Evolutionary de Novo Design of Absorbents for CO2 Capture. CLIMIT SUMMIT 2015 2015-02-24 - 2015-02-25
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Faglig foredragVenkatraman, Vishwesh; Gupta, Mayuri; Foscato, Marco; Jensen, Vidar Remi; Svendsen, Hallvard Fjøsne; Alsberg, Bjørn Kåre. (2015) Evolutionary de novo design of absorbents for CO2 capture. Trondheim Conference on CO2 Capture, Transport and Storage , Trondheim 2015-06-16 - 2015-06-18
2014
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PosterAbburu, Sailesh; Venkatraman, Vishwesh; Foscato, Marco; Jensen, Vidar Remi; Alsberg, Bjørn Kåre. (2014) A de novo design approach to enhance the optical properties of azobenzenes. Kersti Hermansson, Swedish Chemical Society Swedish Theoretical Chemistry Meeting 2014 , Uppsala 2014-10-27 - 2014-10-29
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Vitenskapelig foredragFoscato, Marco; Occhipinti, Giovanni; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre; Jensen, Vidar Remi. (2014) Automated in Silico Design of Homogeneous Catalysts. University of Ottawa 19th International Symposium on Homogeneous Catalysis , Ottawa 2014-07-06 - 2014-07-11
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PosterFoscato, Marco; Occhipinti, Giovanni; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre; Jensen, Vidar Remi. (2014) Automated Design of Organometallic Compounds from 3D Fragments. 5th EuCheMS Chemistry Congress , Istanbul 2014-08-31 - 2014-09-04
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Vitenskapelig foredragAlsberg, Bjørn Kåre; Venkatraman, Vishwesh; Gupta, Mayuri; Foscato, Marco; Svendsen, Hallvard Fjøsne; Jensen, Vidar Remi. (2014) Evolutionary de novo design of absorbents for CO2 capture. Kersti Hermansson, Swedish Chemical Society Swedish Theoretical Chemistry Meeting 2014 , Uppsala 2014-10-27 - 2014-10-29
2013
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PosterFoscato, Marco; Occhipinti, Giovanni; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre; Jensen, Vidar Remi. (2013) Automatic building of transition metal compounds from fragments: a class-based approach. Very Accurate and Large Computations and Applications 2013-06-09 - 2013-06-12
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PosterVenkatraman, Vishwesh; Alsberg, Bjørn Kåre. (2013) Modelling Quantitative Structure Property Relationships of Organic Dyes for Photovoltaic Solar Cells. Swedish Chemical Society Scandinavian Symposium on Chemometrics 13 (SSC13) , Stockholm 2013-06-17 - 2013-06-20
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PosterVenkatraman, Vishwesh; Foscato, Marco; Occhipinti, Giovanni; Jensen, Vidar Remi; Alsberg, Bjørn Kåre. (2013) QSPR-Guided de novo Design of Organic Photovoltaic Dyes. Swedish Chemical Society Scandinavian Symposium on Chemometrics 13 (SSC13) , Stockholm 2013-06-17 - 2013-06-20
2012
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PosterFoscato, Marco; Ayala Ortega, Mauricio; Venkatraman, Vishwesh; Occhipinti, Giovanni; Jensen, Vidar Remi; Alsberg, Bjørn Kåre. (2012) DENOPTIM: De novo OPTimization of Inorganic Molecules. The 11th Annual Meeting on High Performance Computing and Infrastructure for computational science in Norway , Tromsø 2012-06-14 - 2012-06-15
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PosterVenkatraman, Vishwesh; Occhipinti, Giovanni; Foscato, Marco; Ayala Ortega, Mauricio; Jensen, Vidar Remi; Alsberg, Bjørn Kåre. (2012) DENOPTIM: De novo OPTimization of Inorganic Molecules. The XXV International Conference on Organometallic Chemistry , Lisbon 2012-09-02 - 2012-09-07