Vishwesh Venkatraman
About
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
Publications
2022
-
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.
volum 813.
Academic article
-
Venkatraman, Vishwesh;
Almeida Carvalho, Patricia.
(2022)
On the value of popular crystallographic databases for machine learning prediction of space groups.
Acta Materialia.
volum 240.
Academic article
-
Venkatraman, Vishwesh;
Colligan, Thomas;
Lesica, George;
Olson, Daniel;
Gaiser, Jeremiah;
Copeland, Connor;
Wheeler, Travis;
Roy, Amitava.
(2022)
Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets.
Frontiers in Pharmacology.
volum 13.
Academic article
2021
-
Almenningen, David Moe;
Hansen, Henrik Erring;
Vold, Martin Furru;
Buene, Audun Formo;
Venkatraman, Vishwesh;
Sunde, Svein;
Hoff, Bård Helge;
Gautun, Odd Reidar.
(2021)
Effect of thiophene-based π-spacers on N-arylphenothiazine dyes for dye-sensitized solar cells.
Dyes and pigments.
volum 185.
Academic article
-
Børsting, Torunn;
Venkatraman, Vishwesh;
Natland Fagerhaug, Tone;
Skeie, Marit Slåttelid;
Stafne, Signe Nilssen;
Feuerherm, Astrid Jullumstrø;
Sen, Abhijit.
(2021)
Systematic assessment of salivary inflammatory markers and dental caries in children: an exploratory study.
Acta Odontologica Scandinavica.
Academic article
-
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.
Academic article
-
Venkatraman, Vishwesh.
(2021)
FP-ADMET: a compendium of fingerprint-based ADMET prediction models.
Journal of Cheminformatics.
volum 13.
Academic article
-
Venkatraman, Vishwesh.
(2021)
The utility of composition-based machine learning models for band gap prediction.
Computational Materials Science.
volum 197.
Academic article
-
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Mortensen, Åse-Karen;
Ciesielski, Tomasz Maciej;
Farkas, Julia;
Venkatraman, Vishwesh;
Pastukhov, Mikhail V.;
Jenssen, Bjørn Munro;
Asimakopoulos, Alexandros.
(2021)
Rapid determination of thyroid hormones in blood plasma from Glaucous gulls and Baikal seals by HybridSPE®-LC-MS/MS.
Journal of chromatography. B.
volum 1162.
Academic article
2020
-
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.
volum 732.
Academic article
-
Rian, May Britt;
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Ciesielski, Tomasz Maciej;
Venkatraman, Vishwesh;
Lindstrøm, Ulf;
Jenssen, Bjørn Munro;
Asimakopoulos, Alexandros.
(2020)
Phthalate metabolites in harbor porpoises (Phocoena phocoena) from Norwegian coastal waters.
Environment International.
volum 137.
Academic article
-
Venkatraman, Vishwesh.
(2020)
Evaluation of Molecular Fingerprints for Determining Dye Aggregation on Semiconductor Surfaces.
Molecular Informatics.
volum 39.
Academic article
-
Venkatraman, Vishwesh;
Kallidanthiyil Chellappan, Lethesh.
(2020)
An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides.
Data.
volum 5 (45).
Academic article
-
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.
volum 25 (10).
Academic article
2019
-
Asheim, Johannes;
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Lierhagen, Syverin;
Venkatraman, Vishwesh;
Veivåg, Inga-Loise S.;
Snilsberg, Brynhild;
Flaten, Trond Peder;
Asimakopoulos, Alexandros.
(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.
volum 649.
Academic article
-
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.
volum 59 (10).
Academic article
-
Foscato, Marco;
Venkatraman, Vishwesh;
Jensen, Vidar Remi;
Alsberg, Bjørn Kåre.
(2019)
DE Novo OPTimization of In/organic Molecules (DENOPTIM).
GitHub. 2019.
Software
-
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.
volum 292.
Academic article
-
Kallidanthiyil Chellappan, Lethesh;
Evjen, Sigvart;
Raj, Jaganathan Joshua;
Roux, Denis C. D.;
Venkatraman, Vishwesh;
Jayasayee, Kaushik;
Fiksdahl, Anne.
(2019)
Hydroxyl Functionalized Pyridinium Ionic Liquids: Experimental and Theoretical Study on Physicochemical and Electrochemical Properties.
Frontiers in Chemistry.
volum 7 (625).
Academic article
-
Kallidanthiyil Chellappan, Lethesh;
Evjen, Sigvart;
Venkatraman, Vishwesh;
Syed, Nasir Shah;
Fiksdahl, Anne.
(2019)
Highly efficient cellulose dissolution by alkaline ionic liquids.
Carbohydrate Polymers.
volum 229.
Academic article
-
Navada, Sharada;
Vadstein, Olav;
Tveten, Ann-Kristin;
Verstege, Gerhardus C.;
Terjesen, Bendik Fyhn;
Mota, Vasco C.;
Venkatraman, Vishwesh;
Gaumet, Frederic;
Mikkelsen, Øyvind;
Kamstra, Andries.
(2019)
Influence of rate of salinity increase on nitrifying biofilms.
Journal of Cleaner Production.
volum 238.
Academic article
-
Venkatraman, Vishwesh;
Evjen, Sigvart;
Kallidanthiyil Chellappan, Lethesh.
(2019)
The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents.
Data.
volum 4 (2).
Academic article
-
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.
volum 3 (10).
Academic article
-
Venkatraman, Vishwesh;
Kallidanthiyil Chellappan, Lethesh.
(2019)
Establishing Predictive Models for Solvatochromic Parameters of Ionic Liquids.
Frontiers in Chemistry.
volum 7.
Academic article
-
Venkatraman, Vishwesh;
Yemene, Amsalu Efrem;
De Mello, John Christian.
(2019)
Prediction of Absorption Spectrum Shifts in Dyes Adsorbed on Titania.
Scientific Reports.
volum 9 (1).
Academic article
2018
-
Venkatraman, Vishwesh;
Raju, Rajesh;
Economopoulos, Solon;
Alsberg, Bjørn Kåre.
(2018)
The dye-sensitized solar cell database.
Journal of Cheminformatics.
volum 10:18.
Academic article
-
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.
volum 115 (20).
Academic article
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2018)
Designing high-refractive index polymers using materials informatics.
Polymers.
volum 10 (1).
Academic article
-
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.
volum 264.
Academic article
-
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.
volum 264.
Academic article
2017
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2017)
Predicting CO2 capture of ionic liquids using machine learning.
Journal of CO2 Utilization.
volum 21.
Academic article
2016
-
Abburu, Sailesh;
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
TD-DFT based fine-tuning of molecular excitation energies using evolutionary algorithms.
RSC Advances.
volum 6.
Academic article
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
KRAKENX: software for the generation of alignment-independent 3D descriptors.
Journal of Molecular Modeling.
volum 22 (4).
Academic article
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
Quantitative structure-property relationship modelling of thermal decomposition temperatures of ionic liquids.
Journal of Molecular Liquids.
volum 223.
Academic article
-
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.
volum 49.
Academic article
2015
-
Venkatraman, Vishwesh;
Abburu, Sailesh;
Alsberg, Bjørn Kåre.
(2015)
Artificial evolution of coumarin dyes for dye sensitized solar cells.
Physical Chemistry, Chemical Physics - PCCP.
volum 17 (41).
Academic article
-
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.
volum 142.
Academic article
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2015)
A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes.
Dyes and pigments.
volum 114 (C).
Academic article
-
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.
volum 3 (18).
Academic article
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.
volum 54 (3).
Academic article
-
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.
volum 54 (7).
Academic article
-
Venkatraman, Vishwesh;
Åstrand, Per-Olof;
Alsberg, Bjørn Kåre.
(2014)
Quantitative structure-property relationship modeling of Grätzel solar cell dyes.
Journal of Computational Chemistry.
volum 35 (3).
Academic article
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.
volum 80 (4).
Academic article
-
Ritchie, David W.;
Ghoorah, AW;
Mavridis, L;
Venkatraman, Vishwesh.
(2012)
Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity.
Bioinformatics.
volum 28 (24).
Academic article
Journal publications
-
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.
volum 813.
Academic article
-
Venkatraman, Vishwesh;
Almeida Carvalho, Patricia.
(2022)
On the value of popular crystallographic databases for machine learning prediction of space groups.
Acta Materialia.
volum 240.
Academic article
-
Venkatraman, Vishwesh;
Colligan, Thomas;
Lesica, George;
Olson, Daniel;
Gaiser, Jeremiah;
Copeland, Connor;
Wheeler, Travis;
Roy, Amitava.
(2022)
Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets.
Frontiers in Pharmacology.
volum 13.
Academic article
-
Almenningen, David Moe;
Hansen, Henrik Erring;
Vold, Martin Furru;
Buene, Audun Formo;
Venkatraman, Vishwesh;
Sunde, Svein;
Hoff, Bård Helge;
Gautun, Odd Reidar.
(2021)
Effect of thiophene-based π-spacers on N-arylphenothiazine dyes for dye-sensitized solar cells.
Dyes and pigments.
volum 185.
Academic article
-
Børsting, Torunn;
Venkatraman, Vishwesh;
Natland Fagerhaug, Tone;
Skeie, Marit Slåttelid;
Stafne, Signe Nilssen;
Feuerherm, Astrid Jullumstrø;
Sen, Abhijit.
(2021)
Systematic assessment of salivary inflammatory markers and dental caries in children: an exploratory study.
Acta Odontologica Scandinavica.
Academic article
-
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.
Academic article
-
Venkatraman, Vishwesh.
(2021)
FP-ADMET: a compendium of fingerprint-based ADMET prediction models.
Journal of Cheminformatics.
volum 13.
Academic article
-
Venkatraman, Vishwesh.
(2021)
The utility of composition-based machine learning models for band gap prediction.
Computational Materials Science.
volum 197.
Academic article
-
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Mortensen, Åse-Karen;
Ciesielski, Tomasz Maciej;
Farkas, Julia;
Venkatraman, Vishwesh;
Pastukhov, Mikhail V.;
Jenssen, Bjørn Munro;
Asimakopoulos, Alexandros.
(2021)
Rapid determination of thyroid hormones in blood plasma from Glaucous gulls and Baikal seals by HybridSPE®-LC-MS/MS.
Journal of chromatography. B.
volum 1162.
Academic article
-
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.
volum 732.
Academic article
-
Rian, May Britt;
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Ciesielski, Tomasz Maciej;
Venkatraman, Vishwesh;
Lindstrøm, Ulf;
Jenssen, Bjørn Munro;
Asimakopoulos, Alexandros.
(2020)
Phthalate metabolites in harbor porpoises (Phocoena phocoena) from Norwegian coastal waters.
Environment International.
volum 137.
Academic article
-
Venkatraman, Vishwesh.
(2020)
Evaluation of Molecular Fingerprints for Determining Dye Aggregation on Semiconductor Surfaces.
Molecular Informatics.
volum 39.
Academic article
-
Venkatraman, Vishwesh;
Kallidanthiyil Chellappan, Lethesh.
(2020)
An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides.
Data.
volum 5 (45).
Academic article
-
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.
volum 25 (10).
Academic article
-
Asheim, Johannes;
Vike-Jonas, Kristine;
Villa Gonzalez, Susana;
Lierhagen, Syverin;
Venkatraman, Vishwesh;
Veivåg, Inga-Loise S.;
Snilsberg, Brynhild;
Flaten, Trond Peder;
Asimakopoulos, Alexandros.
(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.
volum 649.
Academic article
-
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.
volum 59 (10).
Academic article
-
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.
volum 292.
Academic article
-
Kallidanthiyil Chellappan, Lethesh;
Evjen, Sigvart;
Raj, Jaganathan Joshua;
Roux, Denis C. D.;
Venkatraman, Vishwesh;
Jayasayee, Kaushik;
Fiksdahl, Anne.
(2019)
Hydroxyl Functionalized Pyridinium Ionic Liquids: Experimental and Theoretical Study on Physicochemical and Electrochemical Properties.
Frontiers in Chemistry.
volum 7 (625).
Academic article
-
Kallidanthiyil Chellappan, Lethesh;
Evjen, Sigvart;
Venkatraman, Vishwesh;
Syed, Nasir Shah;
Fiksdahl, Anne.
(2019)
Highly efficient cellulose dissolution by alkaline ionic liquids.
Carbohydrate Polymers.
volum 229.
Academic article
-
Navada, Sharada;
Vadstein, Olav;
Tveten, Ann-Kristin;
Verstege, Gerhardus C.;
Terjesen, Bendik Fyhn;
Mota, Vasco C.;
Venkatraman, Vishwesh;
Gaumet, Frederic;
Mikkelsen, Øyvind;
Kamstra, Andries.
(2019)
Influence of rate of salinity increase on nitrifying biofilms.
Journal of Cleaner Production.
volum 238.
Academic article
-
Venkatraman, Vishwesh;
Evjen, Sigvart;
Kallidanthiyil Chellappan, Lethesh.
(2019)
The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents.
Data.
volum 4 (2).
Academic article
-
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.
volum 3 (10).
Academic article
-
Venkatraman, Vishwesh;
Kallidanthiyil Chellappan, Lethesh.
(2019)
Establishing Predictive Models for Solvatochromic Parameters of Ionic Liquids.
Frontiers in Chemistry.
volum 7.
Academic article
-
Venkatraman, Vishwesh;
Yemene, Amsalu Efrem;
De Mello, John Christian.
(2019)
Prediction of Absorption Spectrum Shifts in Dyes Adsorbed on Titania.
Scientific Reports.
volum 9 (1).
Academic article
-
Venkatraman, Vishwesh;
Raju, Rajesh;
Economopoulos, Solon;
Alsberg, Bjørn Kåre.
(2018)
The dye-sensitized solar cell database.
Journal of Cheminformatics.
volum 10:18.
Academic article
-
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.
volum 115 (20).
Academic article
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2018)
Designing high-refractive index polymers using materials informatics.
Polymers.
volum 10 (1).
Academic article
-
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.
volum 264.
Academic article
-
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.
volum 264.
Academic article
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2017)
Predicting CO2 capture of ionic liquids using machine learning.
Journal of CO2 Utilization.
volum 21.
Academic article
-
Abburu, Sailesh;
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
TD-DFT based fine-tuning of molecular excitation energies using evolutionary algorithms.
RSC Advances.
volum 6.
Academic article
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
KRAKENX: software for the generation of alignment-independent 3D descriptors.
Journal of Molecular Modeling.
volum 22 (4).
Academic article
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2016)
Quantitative structure-property relationship modelling of thermal decomposition temperatures of ionic liquids.
Journal of Molecular Liquids.
volum 223.
Academic article
-
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.
volum 49.
Academic article
-
Venkatraman, Vishwesh;
Abburu, Sailesh;
Alsberg, Bjørn Kåre.
(2015)
Artificial evolution of coumarin dyes for dye sensitized solar cells.
Physical Chemistry, Chemical Physics - PCCP.
volum 17 (41).
Academic article
-
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.
volum 142.
Academic article
-
Venkatraman, Vishwesh;
Alsberg, Bjørn Kåre.
(2015)
A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes.
Dyes and pigments.
volum 114 (C).
Academic article
-
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.
volum 3 (18).
Academic article
-
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.
volum 54 (3).
Academic article
-
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.
volum 54 (7).
Academic article
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Venkatraman, Vishwesh;
Åstrand, Per-Olof;
Alsberg, Bjørn Kåre.
(2014)
Quantitative structure-property relationship modeling of Grätzel solar cell dyes.
Journal of Computational Chemistry.
volum 35 (3).
Academic article
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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.
volum 80 (4).
Academic article
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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.
volum 28 (24).
Academic article
PRODUKT
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Foscato, Marco;
Venkatraman, Vishwesh;
Jensen, Vidar Remi;
Alsberg, Bjørn Kåre.
(2019)
DE Novo OPTimization of In/organic Molecules (DENOPTIM).
GitHub. 2019.
Software
Media
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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Academic lectureVenkatraman, 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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Academic lectureVenkatraman, Vishwesh. (2017) Equation Discovery with Genetic Programming. Virtual Simulation Lab . NTNU; Trondheim. 2017-02-23 - 2017-02-23.
2015
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Academic lectureAlsberg, Bjørn Kåre; Venkatraman, Vishwesh. (2015) Artificial evolution of coumarin dyes for dye sensitized solar cells. 1st International Solar Fuels Conference (ISF-1) . Swedish Consortium for Artificial Photosynthesis; 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. EUCO-CC 2015 . Chemistry-Information-Computers division (CIC) of the German; Fulda. 2015-08-31 - 2015-09-03.
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Academic lectureFoscato, Marco; Occhipinti, Giovanni; Jensen, Vidar Remi; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre. (2015) Automated design of realistic organometallic complexes and catalysts. 249th ACS National Meeting & Exposition . American Chemical Society; Denver, CO. 2015-03-22 - 2015-03-26.
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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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LectureVenkatraman, 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.
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LectureVenkatraman, 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.
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. Swedish Theoretical Chemistry Meeting 2014 . Kersti Hermansson, Swedish Chemical Society; Uppsala. 2014-10-27 - 2014-10-29.
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Academic lectureAlsberg, Bjørn Kåre; Venkatraman, Vishwesh; Gupta, Mayuri; Foscato, Marco; Svendsen, Hallvard Fjøsne; Jensen, Vidar Remi. (2014) Evolutionary de novo design of absorbents for CO2 capture. Swedish Theoretical Chemistry Meeting 2014 . Kersti Hermansson, Swedish Chemical Society; Uppsala. 2014-10-27 - 2014-10-29.
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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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Academic lectureFoscato, Marco; Occhipinti, Giovanni; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre; Jensen, Vidar Remi. (2014) Automated in Silico Design of Homogeneous Catalysts. 19th International Symposium on Homogeneous Catalysis . University of Ottawa; Ottawa. 2014-07-06 - 2014-07-11.
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. Scandinavian Symposium on Chemometrics 13 (SSC13) . Swedish Chemical Society; 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. Scandinavian Symposium on Chemometrics 13 (SSC13) . Swedish Chemical Society; 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.