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Isaac Scientific Publishing
Theoretical Physics
Dr. Francisco Torrens,  University of Valencia, Spain
Institut Universitari de Ciència Molecular
Universitat de València
Edifici d'Instituts de Paterna
P. O. Box 22085, E-46071 València
Spain
Research Interests
• Hartree-Fock Potential: Basis Set Superposition Error (BSSE), Hartree-Fock with Dispersion correction (HFD), HFD Potential Surfaces Optimization.
• Configuration Interaction, Electronic correlation, Intermediate Hamiltonians, Coupled Cluster, Dressed CI, Natural orbitals.
• Molecular Simulation: Molecular Modelling, Molecular Design, Rational Drug Design.
• Potential Energy Surfaces: Geometry Optimization, Variable Metric Methods, Quasi Newton-Raphson Methods, Steepest-Descent Method, non Derivative Methods, SIMPLEX Algorithm, Multivalley Hipersurfaces.
• Supramolecular Chemistry: Intermolecular Interactions, Molecular Associations, Hydrogen-Bonding, Atom-Atom Pair Potential.
• Artificial Intelligence in Chemistry. Molecular recognition. Molecular classification.
• Mathematical Chemistry: Graph Theory, Molecular Topology, Molecular Connectivity, Topological Indices, Kekulé Structure Count, Regression, Principal Component Analysis, Cluster Analysis.
• Molecular Infography: Modelling of Molecular Structures and Properties, Electrostatic, Geometrical and Topological Characterization of Molecules, Molecular Graphics, Representation of Chemical Properties.
• High Performance Computing: VS FORTRAN, Debugger, Optimization, Vectorization, E.S.S.L. Vectorized Library.
• Quantitative Structure–Property (QSPR) and –Activity (QSAR) Relationships: Optimization of Correlation Weights of Local Graph Invariants.
Selected Publication List
• F. Torrens and G. Castellano, Nanominiaturization and quantum computing, in: Sensors and Molecular Recognition X, Eds., A. M. Costero Nieto, S. Gil Grau M. Parra Álvarez and P. Gaviña Costero, Universitat de València, València (Spain), 2016.
• F. Torrens and G. Castellano, Graphene and Fullenene Clusters: Molecular Polarizability and Ion–Di/Graphene Associations, in: Sustainable Nanosystems Development, Properties, and Applications, M. V. Putz and M. C. Mirica, Eds., IGI Global, Hershey (PA), 2016, pp. 1-27.
• F. Torrens and G. Castellano, Cluster origin of solvation features of C-nanostructures in organic solvents, in: Advancing Pharmaceutical Processes and Tools for Improved Health Outcomes, Ed., T. M. Gasmelseid, IGI Global, Hershey (PA), 2016, pp. 189-293.
• F. Torrens, Meet our Editorial Board Member: Dr. Francisco Torrens, Curr. Drug Discov. Technol., 13(3), 1-2 (2016).
• A. Dreiding, P. W. Fowler, I. Gutman, A. Kerber, D. J. Klein, N. S. Zefirov, A. R. Ashrafi, M. N. Bereberan-Santos, D. Bieliñska-Wáq, J. Cioslowski, K. C. Das, M. V. Diudea, E. Estrada, S. Fujita, V. V. Iliev, S. KlavΩar, X. Li, B. Liao, W. Linert, B. Liu, P. G. Mezey, B. Mohar, L. Pogliani, J. Rada, C. Rücker, R. Todeschini, F. Torrens, S. S. Tratch, N. Trinajsti≈, S. Wagner and B. Furtula, Professor Fuji Zhang is 80, MATCH Commun. Math. Comput. Chem., 76, 1-1 (2016).
• F. Torrens and G. Castellano, Ebola virus disease: Questions, ideas, hypotheses and models, Pharmaceuticals, 9, 14–6-6 (2016).
• H. Le-Thi-Thu, Y. Cañizares-Carmenate, Y. Marrero-Ponce, F. Torrens and J. A. Castillo-Garit, Prediction of Caco 2 cell permeability using bilinear indices and multiple linear regression, Lett. Drug Des. Discov., 13, 161-169 (2016).
• F. Torrens and G. Castellano, Reflections on the cultural history of nanominiaturization and quantum simulators (computers), in: Sensors and Molecular Recognition IX, Eds. N. Laguarda Miro, R. Masot Peris and E. Brun Sánchez, Universidad Politécnica de Valencia, València (Spain), 2015, pp. 1–1-7.
• F. Torrens and G. Castellano, Ideas in the history of nano/miniaturization and (quantum) simulators: Feynman, education and research reorientation in translational science, in: Synthetic Organic Chemistry XIX, Eds. J. A. Seijas and M. P. Vázquez-Tato, MDPI, Basel (Switzerland), 2015, pp. 1-16.
• F. Torrens and G. Castellano, Reflections on the nature of the periodic table of the elements: Implications in chemical education, in: Synthetic Organic Chemistry XVIII, Eds. J. A. Seijas, M. P. Vázquez Tato and S. K. Lin, MDPI, Basel (Switzerland), 2015, pp. 1-15.
• F. Torrens and G. Castellano, Molecular classification of N aryloxazolidinone 5 carboxamides as human immunodeficiency virus protease inhibitors, in: Emerging Trends in Computational Biology, Bioinformatics, and Systems Biology: Algorithms and Software Tools, Eds. Q. N. Tran and H. Arabnia, Elsevier, Amsterdam, 2015, pp. 69-97.
• F. Torrens and G. Castellano, 2014 spread/uncontrolled Ebola outbreak, New Front. Chem., 24, 81-91 (2015).
• F. Torrens Zaragozá and G. Castellano Estornell, Emergence, spread and uncontrolled Ebola outbreak, Basic Clin. Pharmacol. Toxicol., 117 (Suppl. 2) 38-38 (2015).
• R. Medina Marrero, Y. Marrero-Ponce, S. J. Barigye, Y. Echeverría Díaz, R. Acevedo-Barrios, G. M. Casañola-Martín, M. García Bernal, F. Torrens and F. Pérez-Giménez, QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents, SAR QSAR Environ. Res., 26, 943-958 (2015).
• F. Torrens and G. Castellano, Computational study of nanosized drug delivery from cyclodextrins, crown ethers and hyaluronan in pharmaceutical formulations, Curr. Top. Med. Chem., 15, 1901-1913 (2015).
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