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Marco Foscato

Researcher
  • E-mailMarco.Foscato@uib.no
  • Visitor Address
    Realfagbygget, Allégt. 41
  • Postal Address
    Postboks 7803
    5020 BERGEN
Academic article
  • Foscato, Marco; Jensen, Vidar Remi. 2020. Automated in Silico Design of Homogeneous Catalysts. ACS Catalysis.
  • 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. 4077-4082.
  • Bernhardt, Paul V.; Bilyj, Jessica K.; Brosius, Victor; Chernyshov, Dmitry; Deeth, Robert J.; Foscato, Marco; Jensen, Vidar Remi; Mertes, Nicole; Riley, Mark J.; Törnroos, Karl Wilhelm. 2018. Spin Crossover in a Hexaamineiron(II) Complex: Experimental Confirmation of a Computational Prediction. Chemistry - A European Journal. 5082-5085.
  • Rufh, Stephanie A.; Goudreault, Alexandre Y.; Foscato, Marco; Jensen, Vidar Remi; Fogg, Deryn Elizabeth. 2018. Rapid decomposition of olefin metathesis catalysts by a truncated N-heterocyclic carbene: Efficient catalyst quenching and n-heterocyclic carbene vinylation. ACS Catalysis. 11822-11826.
  • Bailey, Gwendolyn A; Foscato, Marco; Higman, Carolyn S.; Day, Craig S.; Jensen, Vidar Remi; Fogg, Deryn E. 2018. Bimolecular Coupling as a Vector for Decomposition of Fast-Initiating Olefin Metathesis Catalysts. Journal of the American Chemical Society. 6931-6944.
  • Engel, Julien; Smit, Wietse; Foscato, Marco; Occhipinti, Giovanni; Törnroos, Karl Wilhelm; Jensen, Vidar Remi. 2017. Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization. Journal of the American Chemical Society. 16609-16619.
  • Bailey, Gwendolyn A; Lummiss, Justin A M; Foscato, Marco; Occhipinti, Giovanni; McDonald, Robert; Jensen, Vidar Remi; Fogg, Deryn E. 2017. Decomposition of Olefin Metathesis Catalysts by Br?nsted Base: Metallacyclobutane Deprotonation as a Primary Deactivating Event. Journal of the American Chemical Society. 16446-16449.
  • 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. 55-63.
  • Foscato, Marco; Houghton, Benjamin J.; Occhipinti, Giovanni; Deeth, Robert J.; Jensen, Vidar Remi. 2015. Ring closure to form metal chelates in 3D fragment-based de novo design. Journal of Chemical Information and Modeling. 1844-1856.
  • Foscato, Marco; Deeth, Robert J.; Jensen, Vidar Remi. 2015. Integration of ligand field molecular mechanics in Tinker. Journal of Chemical Information and Modeling. 1282-1290.
  • 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. 9851-9860.
  • 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. 767-780.
  • 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. 1919-1931.
  • Ferrario, Valerio; Foscato, Marco; Bert, Cynthia E.; Gardossi, Lucia. 2013. Thermodynamic analysis of enzyme enantioselectivity: a statistical approach by means of new differential HybridMIF descriptors. Biocatalysis and Biotransformation. 272-280.
Lecture
  • Foscato, Marco. 2019. Changing Oxidation State Paradigms in Ruthenium-Catalyzed Olefin Metathesis.
  • Foscato, Marco; Engel, Julien; Smit, Wietse; Occhipinti, Giovanni; Törnroos, Karl Wilhelm; Jensen, Vidar Remi. 2017. Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Deactivation, Regeneration, and Isomerization.
  • Foscato, Marco. 2017. Cheminformatics for the Design of Functional Transition Metal Compounds.
  • Foscato, Marco; Occhipinti, Giovanni; Jensen, Vidar Remi. 2016. Computational Design of Functional Organometallic Complexes.
  • 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.
  • 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.
Academic lecture
  • Foscato, Marco; Jensen, Vidar Remi; Fogg, Deryn Elizabeth. 2019. Oxidation State Paradigms in Olefin Metathesis.
  • Foscato, Marco; Jensen, Vidar Remi. 2018. Automated in silico design of homogeneous catalysts.
  • Jensen, Vidar Remi; Engel, Julien; Smit, Wietse; Occhipinti, Giovanni; Foscato, Marco; Törnroos, Karl Wilhelm. 2017. Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.
  • Foscato, Marco; Occhipinti, Giovanni; Jensen, Vidar Remi; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre. 2015. Automated design of realistic organometallic complexes and catalysts.
  • Eliasson, Sondre H. Hopen; Foscato, Marco; Occhipinti, Giovanni; Jensen, Vidar Remi. 2015. Automated Prediction of Optimized Ruthenium Catalysts for Olefin Metathesis.
  • Eliasson, Sondre H. Hopen; Foscato, Marco; Occhipinti, Giovanni; Jensen, Vidar Remi. 2015. Automated Prediction of Optimized Ruthenium Catalysts for Olefin Metathesis.
  • 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.
  • Foscato, Marco; Occhipinti, Giovanni; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre; Jensen, Vidar Remi. 2014. Automated in Silico Design of Homogeneous Catalysts.
Software
  • Foscato, Marco; Venkatraman, Vishwesh; Jensen, Vidar Remi; Alsberg, Bjørn Kåre. 2019. DE Novo OPTimization of In/organic Molecules (DENOPTIM).
Doctoral dissertation
  • Foscato, Marco. 2015. A method for automated de novo design of functional transition-metal compounds.
Academic chapter/article/Conference paper
  • Šoltészová, Veronika; Foscato, Marco; Eliasson, Sondre H. Hopen; Jensen, Vidar Remi. 2015. Evolution inspector: Interactive visual analysis for evolutionary molecular design. 2 pages.
Poster
  • Foscato, Marco; Smit, Wietse; Occhipinti, Giovanni; Jensen, Vidar Remi. 2019. Reviving Metathesis: Ethylene-Triggered Formation of Ruthenium-Alkylidene .
  • Foscato, Marco; Bernhardt, Paul V.; Bilyi, Jessica K.; Brosius, Victor; Chernyshov, Dmitry; Deeth, Robert J.; Mertes, Nicole; Riley, Mark J.; Törnroos, Karl Wilhelm; Jensen, Vidar Remi. 2019. Automated design of Fe(II) spin crossover compounds: a successful story.
  • Foscato, Marco; Engel, Julien; Smit, Wietse; Occhipinti, Giovanni; Törnroos, Karl Wilhelm; Jensen, Vidar Remi. 2017. Mechanisms Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.
  • Foscato, Marco; Occhipinti, Giovanni; Eliasson, Sondre H. Hopen; Jensen, Vidar Remi. 2017. In Silico Evaluation of Olefin Metathesis Catalysts: the Importance of Monitoring More than One Elementary Reaction.
  • 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.
  • Foscato, Marco; Occhipinti, Giovanni; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre; Jensen, Vidar Remi. 2014. Automated Design of Organometallic Compounds from 3D Fragments.
  • 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.
  • Venkatraman, Vishwesh; Foscato, Marco; Occhipinti, Giovanni; Jensen, Vidar Remi; Alsberg, Bjørn Kåre. 2013. QSPR-Guided de novo Design of Organic Photovoltaic Dyes.
  • 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.
  • Foscato, Marco; Ayala Ortega, Mauricio; Venkatraman, Vishwesh; Occhipinti, Giovanni; Jensen, Vidar Remi; Alsberg, Bjørn Kåre. 2012. DENOPTIM: De novo OPTimization of Inorganic Molecules.
  • Venkatraman, Vishwesh; Occhipinti, Giovanni; Foscato, Marco; Ayala Ortega, Mauricio; Jensen, Vidar Remi; Alsberg, Bjørn Kåre. 2012. DENOPTIM: De novo OPTimization of Inorganic Molecules.

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