People
Jorge Campos Marques
Member
Evolutionary and Complex SystemsPast Projects
CHE: Development of New Evolutionary Computation Approaches for Applications in Theoretical Chemistry
FCT/CAPES: Study of the energetic landscapes of atomic clusters by applying novel bio-inspired algorithms
Journal Articles
2019
(1 publication)2018
(1 publication)2017
(3 publications)- Marques, J.C. and Pereira, F.B. and Llanio-Trujillo, J.L. and Abreu, P.E. , "A global optimization perspective on molecular clusters", Philosophical Transactions of the Royal Society A, 2017
- Rodri?guez-Ferna?ndez, R. and Pereira, F.B. and Marques, J.C. and Marti?nez-Nu?n?ez, E. and Va?zquez, S.A. , "GAFit: a general-purpose, user-friendly program for fitting potential energy surfaces", Computer Physics Communications, 2017
- Prudente, F.V. and Marques, J.C. and Pereira, F.B. , "Solvation of Li+ by argon: How important are three-body forces?", Physical Chemistry Chemical Physics , 2017 [ DOI ]
2016
(1 publication)- Cruz, S. and Marques, J.C. and Pereira, F.B. , "Improved evolutionary algorithm for the global optimization of clusters with competing attractive and repulsive interactions", Journal of Chemical Physics, vol. 145, pp. 154109, 2016 [ DOI ]
2015
(1 publication)- Marques, J.C. and Pereira, F.B. , "Colloidal Clusters from a Global Optimization Perspective", Journal of Molecular Liquids, 2015 [ DOI ]
2013
(1 publication)2012
(1 publication)2011
(3 publications)- Llanio-Trujillo, J.L. and Marques, J.C. and Pereira, F.B. , "An Evolutionary Algorithm for the Global Optimization of Molecular Clusters: Application to Water, Benzene, and Cation-benzene", Journal of Physical Chemistry A, 2011
- Abreu, P.E. and Marques, J.C. and Pereira, F.B. , "Electronic Structure Calculations on the Ar-C6H12 Interaction: Application to the Microsolvation of the Chair Conformer", Computational and Theoretical Chemistry, 2011
- Almeida, M.M. and Prudente, F.V. and Fellows, C.E. and Marques, J.C. and Pereira, F.B. , "Direct Fit of Spectroscopic Data of Diatomic Molecules by using Genetic Algorithms: II. The Ground State of RbCs", Journal of Physics B: Atomic, Molecular & Optical Physics, 2011
2010
(2 publications)- Marques, J.C. and Pereira, F.B. , "An evolutionary algorithm for global minimum search of binary atomic clusters", Chemical Physics Letters, vol. 485, pp. 211-216, 2010
- Marques, J.C. and Llanio-Trujillo, J.L. and Abreu, P.E. and Pereira, F.B. , "How Different Are Two Chemical Structures?", Journal of Chemical Information and Modeling, 2010
2009
(1 publication)2008
(2 publications)- Marques, J.C. and Prudente, F.V. and Pereira, F.B. and Almeida, M.M. and Maniero, A.M. and Fellows, C.E. , "A New Genetic Algorithm to be Used in the Direct Fit of Potential Energy Curves to ab initio and Spectroscopic Data", Journal of Physics B: Atomic, Molecular & Optical Physics, vol. 41, 2008
- Marques, J.C. and Pereira, F.B. and Leitão, T. , "On the Use of Different Potential Energy Functions in Rare-gas Cluster Optimization by Genetic Algorithms: Application to Argon Clusters", Journal of Physical Chemistry, vol. 112, pp. 6079-6089, 2008
Conference Articles
2010
(1 publication)2008
(2 publications)- Pereira, F.B. and Marques, J.C. , "A Self-Adaptive Evolutionary Algorithm for Cluster Geometry Optimization", in Eight International Conference on Hybrid Intelligent Systems (HIS 2008), 2008
- Pereira, F.B. and Marques, J.C. , "A Hybrid Evolutionary Algorithm for Cluster Geometry Optimization: the importance of structural elitism", in Eight International Conference on Hybrid Intelligent Systems (HIS-2008), 2008