Gonçalo Valente da Silva Mariño Carrera

Secção de Engenharia Química e Bioquímica
(+351) 212948300

I initiate my scholar activity in 2004 as a PhD student just after completion of the Degree in Applied Chemistry, with a final classification of 17/(20), with excellent marks in Thermodynamics, Computational Sciences, and Physical-Chemistry and Organic Chemistry group of disciplines. I was awarded a prize as second-best student of Applied Chemistry (2003/2004). During the PhD I developed laboratorial and chemoinformatic work on physico-chemical properties of ionic liquids and prediction of chemical reactivity of groups of reactions. I developed, during the Posdoc, work on Phase Behaviour and CO2 capture systems. The recent aim of my research consists on the study of CO2, organic molecules  and Ionic Liquid-based systems from a chemoinformatic  perspectives The applications consist on:  1 - Phase-equilibrium studies, prediction and comprehension of the reasons behind a certain configuration's behaviour.  2 - Recognition of generical characteristics of chemical systems, pure compounds and mixtures that correspond to a certain physico-chemical property-value and optimize predictive ability.

Interesses Científicos



Phase Equilibrium

Physico-Chemical Properties



Green Chemistry

Publicações Representativas

Gonçalo V. S. M. Carrera*, Mariana L Cruz, Kyrylo Klimenko, José M. S. S. Esperança, João Aires-de-Sousa, Prediction of Phase Composition Profile of Three‐Compound Mixtures in Liquid‐Liquid Equilibrium: A Chemoinformatics Approach, ChemPhysChem 2022, 23, e2022003. https://doi.org/10.1002/cphc.202200300


Gonçalo V. S. M. Carrera*, The melting point profile of organic molecules: A Chemoinformatic approach, Adv. Theory Simul., 2022, 5, 2200503. https://doi.org/10.1002/adts.202200503


Gonçalo V. S. M. Carrera*, João Inês, Carlos E. S. Bernardes, Kyrylo Klimenko, Karina Shimizu, José N. Canongia Lopes, The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach, ChemPhysChem 2021, 22, 1-12. https://doi.org/10.1002/cphc.202100632


Gonçalo V. S. M. Carrera,* Manuel Nunes da Ponte, Luís P. N. Rebelo, Chemoinformatic approaches to predict the viscosities of ionic liquids and ionic liquid-containing systems. ChemPhysChem, 2019, 20, 2767-2773, (Cover Feature). https://doi.org/10.1002/cphc.201900593


Gonçalo V. S. M. Carrera*, Anabela Raymundo, Francisco M. Braz Fernandes, Noémi Jordão, Isabel Sousa, Manuel Nunes da Ponte, Luís C. Branco*, Tetramethylguanidine-based gels and colloids of celulose, Carb. Polym. 2017, 169, 2017, 58-64. https://doi.org/10.1016/j.carbpol.2017.03.084


Gonçalo V. S. M. Carrera *, Noemi Jordão Luís C. Branco * and Manuel Nunes da Ponte, CO2 capture systems based on saccharides and organic superbasesFaraday Discuss., 2015, 183, 429-444. https://doi.org/10.1039/C5FD00044K


Gonçalo V. S. M. Carrera*, Noemi Jordão, Miguel M. Santos, Manuel Nunes da Ponte, Luís C. Branco*, Reversible Systems based on CO2, Amino-acids and Organic Superbases. RSC Adv., 2015, 5, 35564-35571.https://doi.org/10.1039/C5RA03474D


Gonçalo V. S. M. Carrera, Zoran Visak, Rafal Bogel-Lukasik, Manuel Nunes da Ponte, "VLE of CO2 + glycerol + (ethanol or 1-propanol or 1-butanol)" Fluid Phase Eq. 303, 2011, 180-183. https://doi.org/10.1016/j.fluid.2011.01.019


Gonçalo V. S. M. Carrera, Carlos A. M. Afonso, Luís C. Branco, “Interfacial properties, densities and contact angles of Task Specific Ionic Liquids”, J. Chem. Eng. Data, 2010, 55(2), 609–615. https://doi.org/10.1021/je900502s


Gonçalo V. S. M. Carrera, Sunil Gupta, João Aires-de-Sousa, “Machine learning of chemical reactivity from databases of organic reactions”, J. Comput. Aided Mol. Des. 2009, 23(7), 419-429. https://doi.org/10.1007/s10822-009-9275-2


Gonçalo V. S. M. Carrera, Luís C. Branco, João Aires-de-Sousa, Carlos A. M. Afonso, Exploration of quantitative structure-property relationships (QSPR) for the design of new guanidinium ionic liquids, Tetrahedron. 2008, 64(9), 2216-2224.  https://doi.org/10.1016/j.tet.2007.12.021


Gonçalo Carrera, João Aires-de-Sousa, "Estimation of melting points of pyridinium bromides ionic liquids with decision trees and neural networks", Green Chemistry 2005, 7(1), 20-27. https://doi.org/10.1039/B408967G


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