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Vishwesh Venkatraman

Vishwesh Venkatraman

Researcher
Department of Chemistry
Faculty of Natural Sciences

vishwesh.venkatraman@ntnu.no
+4773591675 +4745186426 Realfagbygget, D3-106, Gløshaugen, Høgskoleringen 5
About Publications Media

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

  • Chronological
  • By category
  • See all publications in Cristin

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

Scientific articles

  • 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
  • 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
  • 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

Media

2022

  • Poster
    Venkatraman, 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

  • Academic lecture
    Venkatraman, Vishwesh. (2021) Composition-driven Machine Learning of Space Groups. Advances in Smart Materials and Emerging Technologies ; 2021-12-20 - 2021-12-21.

2017

  • Academic lecture
    Venkatraman, Vishwesh. (2017) Equation Discovery with Genetic Programming. Virtual Simulation Lab . NTNU; Trondheim. 2017-02-23 - 2017-02-23.

2015

  • Academic lecture
    Alsberg, 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.
  • Poster
    Bouza, 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.
  • Academic lecture
    Foscato, 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.
  • Poster
    Venkatraman, 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.
  • Lecture
    Venkatraman, 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.
  • Lecture
    Venkatraman, 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

  • Poster
    Abburu, 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.
  • Academic lecture
    Alsberg, 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.
  • Poster
    Foscato, 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.
  • Academic lecture
    Foscato, 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

  • Poster
    Foscato, 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.
  • Poster
    Venkatraman, 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.
  • Poster
    Venkatraman, 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

  • Poster
    Foscato, 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.
  • Poster
    Venkatraman, 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.
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