Instituto de Simulación Computacional ISC

Colegio de Ciencias e Ingenierías
Acerca de nosotros

La simulación computacional ha sido reconocida como una de las áreas de investigación con mayor potencial de desarrollo en países emergentes como el Ecuador. El Instituto de Simulación Computacional de la Universidad San Francisco de Quito (ISC-USFQ) busca ser la plataforma para promover el desarrollo de este campo en nuestro país, brindando un espacio amplio e incluyente al cual los docentes e investigadores, tanto de la USFQ como de las diferentes instituciones del país están invitados a participar.

Programas de Posgrado Relacionados
Intereses de investigación
  • Diseño computacional de nuevos materiales y desarrollo de nuevas tecnologías.
  • Descubrimiento in silico de nuevos fármacos utilizando estrategias de cribado virtual empleando docking y dinámica molecular, QSAR, búsqueda de similitud molecular y farmacóforos, filtros ADME-TOX, etc.
  • Desarrollo de nuevos algoritmos, bases de datos y software en ciencias de la vida.
  • Estudio de interacciones proteína-proteína y sus roles biológicos.
  • Estudio de mecanismo de reacciones químicas.
  • Simulación de la dispersión de ceniza volcánica en el Ecuador.
  • Desarrollo de métodos teóricos para la descripción de la estructura electrónica en átomos y moléculas.
  • Monitoreo de lluvia espacial y análisis de datos para la detección de radiación cósmica.
  • Uso de modelos numéricos para meteorología.
  • Simulación de transporte químico de contaminantes en el aire.
Equipo
Misión

El Instituto de Simulación Computacional ISC es una asociación que busca promover a nivel nacional la investigación científica, el desarrollo de proyectos multidisciplinarios y la generación de información en todas las áreas del conocimiento, sean éstas fundamentales o aplicadas, que se centran en el uso y desarrollo de métodos de simulación computacional y procesamiento numérico masivo.

Visión

El Instituto de Simulación Computacional busca ser una estructura que albergue a investigadores líderes del campo teórico y aplicado en las ramas afines a la simulación computacional de alto rendimiento, de tal manera que sea un referente a nivel nacional e internacional en lo que respecta a: el desarrollo de proyectos de investigación multidisciplinarios, la preparación de convenios interinstitucionales y la organización de talleres y cursos en el marco de consultorías y capacitaciones dirigidas a grupos de investigación y desarrollo pertenecientes a instituciones públicas o privadas.

 

Directorio

Directorio 2022-2025

José Ramón Mora, PhD.
Presidente
Email. jrmora@usfq.edu.ec

Vladimir Rodríguez, PhD.
Vicepresidente
Email. vrodriguez@usfq.edu.ec

Cesar H. Zambrano, PhD.
Asesor Académico y de Investigación
Email. czambrano@usfq.edu.ec

Consejo de Investigación

Luis Rincón, PhD.
Coordinador

Dennis Cazar, PhD.
Miembro del consejo

Yovani Marrero-Ponce
Miembro del Consejo

Investigación

Los proyectos de investigación que se desarrollan actualmente en el ISC se enmarcan en las siguientes áreas:

  • Físico-química, química-física teórica.
  • Contaminación y remediación ambiental.
  • Energías alternativas.
  • Matemáticas aplicadas.
  • Nanotecnología.
  • Ciencias básicas.

Publicaciones

2022

  • Cañizares-Carmenate, Y.; Mena-Ulecia, K.; MacLeod Carey, D.; Perera-Sardiña, Y.; Hernández-Rodríguez, E. W.; Marrero-Ponce, Y.; Torrens, F.; Castillo-Garit, J. A. Machine learning approach to discovery of small molecules with potential inhibitory action against vasoactive metalloproteases. Mol. Divers. 2022, 49-61.
  • Romero, M.; Marrero-Ponce, Y.; Rodríguez, H.; Agüero-Chapin, G.; Antunes, A.; Aguilera-Mendoza, L.; Martinez-Rios, F. A Novel Network Science and Similarity-Searching-Based Approach for Discovering Potential Tumor-Homing Peptides from Antimicrobials. Antibiotics. 2022, 11, 401.
  • Vladimir Rodríguez, Luis Rincón, F. Javier Torres, Mateo Flores, César Zambrano: Analysis of Ecuador’s SCOPUS Scientific Production during the 2001-2020 Period by means of Standardized Citation Indicators, HELIYON-D-21-09490R4
  • Nicolás Cabrera, Sebastián A. Cuesta, José R. Mora, Luis Calle, Edgar A. Márquez 6, Roland Kaunas, and José Luis Paz, In Silico Searching for Alternative Lead Compounds to Treat Type 2 Diabetes through a QSAR and Molecular Dynamics Study, Pharmaceutics, 2022, 14, 232.
  • Martín Moreno, José R. Mora, Quantitative structure activity relationship of bioconcentration factor of polychlorinated biphenyls in fish species using machine learning, Avances en Ciencias e Ingeniería, 2022, 13(2), 2275.
  • José R. Mora, Sebastián A. Cuesta, Assia Belhassan, G. Salgado Morán, Tahar Lakhlifi, Mohammed Bouachrine, Carlos Peña, Lorena Gerli, Luis H. MendozaHuizar, Molecular Docking and Molecular Dynamics Studies of SARS-CoV-2 Inhibitors: Crocin, Digitoxigenin, BetaEudesmol and Favipiravir: Comparative Study, Biointerface Research in Applied Chemistry, 2022, 12(4), 5591-5600.

2021

  • Martín, O.; Leyva, Y.; Suárez-Lezcano, J.; Pérez-Castillo, Y.; Marrero-Ponce, Y. The minimal and the optimal size for two different types of encapsulated replicator systems. Chinese J. Physics. 2021, 71, 397-402
  • Neskarlys Rios, Franmerly Fuentes, Deivi Oliveros, José R. Mora, Juan M. Garcia-Garfido, and Yomaira Otero, Synthesis, characterization, and photophysical properties of a new 2,5-di(aryl)phosphole derivative and their trigonal copper–phosphole complexes, Journal of Coordination Chemistry, 2021, 74:4-6, 563-574.
  • N. Cabrera, José .R. Mora, E. Márquez , V. Flores-Morales , L. Calle, and E. Cortés, QSAR and molecular docking modelling of antileishmanial activities of organic selenium and tellurium compounds, SAR and QSAR in Environmental Research, 2021, 32:1, 29-50.
  • Sebastián A.Cuesta, José R. Mora, Edgar A. Márquez, In Silico Screening of the DrugBank Database to Search for Possible Drugs against SARS-CoV-2, Molecules, 2021, 26, 1100.
  • Leonardo Anchique, Jackson J. Alcázar, Andrea Ramos-Hernandez, Maximiliano Méndez-López, José R. Mora, Norma Rangel, José Luis Paz, and Edgar Márquez, Predicting the Adsorption of Amoxicillin and Ibuprofen on Chitosan and Graphene Oxide Materials: A Density Functional Theory Study, Polymers, 2021, 13, 1620.
  • Sebastian A. Cuesta, Edgar A. Márquez, Marcos A. Loroño, J.L. Paz, José R. Mora, Theoretical study on the flash vacuum gas-phase pyrolysis reaction mechanism of 2-(2-benzylidenehydrazinyl)pyridine and analogous, Computational and Theoretical Chemistry, 2021, 1202, 113297.
  • Sebastián A. Cuesta, F. Javier Torres, Luis Rincón, José Luis Paz, Edgar A. Márquez, and José R. Mora, Effect of the Nucleophile’s Nature on Chloroacetanilide Herbicides Cleavage Reaction Mechanism. A DFT Study, International Journal of Molecular Sciences, 2021, 22, 6876.
  • Ricardo Guzmán-Ávila, Mayra Avelar, Edgar A. Márquez, Julio C. Rivera-Leyva, José R. Mora, Virginia Flores-Morales, and Jesús Rivera-Islas, Synthesis, In Vitro, and In Silico Analysis of the Antioxidative Activity of Dapsone Imine Derivatives, Molecules, 2021, 26, 5747.
  • Luis Calle, Yovani Marrero, and José R. Mora, Molecular simulation of the (GPx)-like antioxidant activity of ebselen derivatives through machine learning techniques, Molecular Simulation, 2021, 47(17), 1402-1410.
  • Luis Rincón, José R. Mora, Vladimir Rodriguez, and F. Javier Torres, Na⋯B bond in NaBH 3 : An induced spin-polarized bond, ChemPhysChem, 2021, 22, 1-7.
  • Sebastian A. Cuesta, Luis Rincón, F. Javier Torres, Vladimir Rodríguez, and José R. Mora, A computational study of the reaction mechanism involved in the fast cleavage of an unconstrained amide bond assisted by an amine intramolecular nucleophilic attack, Journal of Computational Chemistry, 2021, 42, 818-826.
  • Parra, R. EFFECTS of AEROSOLS FEEDBACKS in MODELING METEOROLOGY and AIR QUALITY in the ANDEAN REGION of SOUTHERN ECUADOR. WIT Transactions on Ecology and the Environment, 2021, 252(2021), pp. 39–50.
  • Cazorla, M., Parra, R., Herrera, E., da Silva, F.R. Characterizing ozone throughout the atmospheric column over the tropical Andes from in situ and remote sensing observations. Elementa, 2021, 9(1)

2020

  • Poveda, Ana, Miguel Ángel Méndez, and Vinicio Armijos-Jaramillo. Analysis of DNA Polymerases Reveals Specific Genes Expansion in Leishmania and Trypanosoma spp. Frontiers in cellular and infection microbiology (2020): 554.
  • N. Cabrera, José R. Mora, E. Marquez, V. Flores-Morales, L. Calles and E. Cortés, QSAR and molecular docking modelling of anti-leishmanial activities of organic selenium and tellurium compounds, SAR and QSAR in environmental research, 2020, 1848914.
  • Paul Pozo-Guerron, Luis E. Seijas, Jose Luis Burgos, Luis Rincon, Javier Torres, José R. Mora, Cesar Zambrano, Rafael Almeida, A topological study of the hexacoordinated carbón in the pentagonal pyramida benzene and hexamethylbenzene dications, Chemical Physics Letters, 2020, 137912.
  • Eliceo Cortes, José R. Mora, Edgar Márquez, Modelling the Anti-Methicillin-Resistant Staphylococcus Aureus (MRSA) Activity of Cannabinoids: A QSAR and Docking Study, Crystals, 2020, 10, 692 (1-20).
  • Jose R Mora, Yovani Marrero-Ponce, César R García-Jacas, Amileth Suarez Causado, Ensemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches, Chemical Research in Toxicology, 2020, 33(7), 1855-1873.
  • Sebastián Adolfo Cuesta, Tania Cordova‐Sintjago, José R. Mora, Sulfonylation of Five‐Membered Aromatic Heterocycles Compounds through Nucleophilic Aromatic Substitution: Concerted or Stepwise Mechanism?, ChemistrySelect, 2020, 5(15), 4515-4524.
  • Cristian Cervantes, José R Mora, Luis Rincón, Vladimir Rodríguez, Theoretical study of the mechanism of 2, 5-diketopiperazine formation during pyrolysis of proline, Molecular Physics, 2020, 118(2), e1594422
  • Juan Zurita, Vladimir Rodriguez, Cesar Zambrano, Jose R. Mora, Luis Rincón, F Javier Torres, Theoretical Description of R–X⋯ NH3 Halogen Bond Complexes: Effect of the R Group on the Complex Stability and Sigma-Hole Electron Depletion, Molecules, 2020, 25(3), 530.
  • Luis Rincon, F Javier Torres, Jose R. Mora, Cesar H Zambrano, Vladimir Rodriguez, A valence bond perspective of the reaction force formalism, Theoretical Chemistry Accounts, 2020, 139(1), 1-10.
  • Edgar Márquez, José R. Mora, Virginia Flores-Morales, Daniel Insuasty, Luis Calle, Modeling the antileukemia activity of ellipticine-related compounds: QSAR and Molecular Docking Study, Molecules, 2020, 25(1), 24.
  • A valence bond study of the activation of methyl halides bonds by electric fields. Paúl Pozo-Guerrón, Gerardo Armijos Capa, Luis Rincón, José R. Mora, F. Javier Torres and Vladimir Rodriguez. doi: https://doi.org/10.1142/S021963361950007X.
  • Parra, R., Espinoza, C. Insights for air quality management from modeling and record studies in Cuenca, Ecuador. Atmosphere, 2020, 11(9), 998.
  • Parra, R., Cadena, E., Paz, J., Medina, D. Isomass and probability maps of ash fallout due to Vulcanian eruptions at Tungurahua volcano (Ecuador) deduced from historical forecasting. Atmosphere, 2020, 11(8), 861.
  • Parra, R. Contribution of non-renewable sources for limiting the electrical CO2 emission factor in Ecuador. WIT Transactions on Ecology and the Environment, 2020, 244, pp. 65–77.
  • Marrero-Ponce, Y.; Teran, J. E.; Contreras-Torres, E. C.; García-Jacas, C. R.; Perez-Castillo, Y.; Cubillan, N.; Peréz-Giménez, F.; Valdés-Martini, J. R. LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs. J. Theor. Biol. 2020, 485, 110039.
  • García-Jacas, C. J.; Marrero-Ponce, Y.; Brizuela, C. A.; Suárez-Lezcano, J.; Martinez-Rios, F. Smoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding. J. Comput. Chem. 2020, 41, 203-217.
  • Martínez López, Y.; Marrero Ponce, Y.; Barigye, S. J.; Teran, E.; Martínez Santiago, O.; Zambrano, C. S.; Torres, F. J. When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler? Mol Divers. 2020, 24, 913–932.
  • Ernesto Contreras-Torres, E.; Marrero-Ponce, Y.; Teran, J. E.; García-Jacas, C. R.; Brizuela, C. A.; Sanchez-Rodríguez, J. C. MuLiMs-MCoMPAs: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein Descriptors. J. Chem. Inf. Model. 2020, 60, 1042–1059.
  • García-Jacas, C. R.; Marrero-Ponce, Y.; Vivas-Reyes, R.; Suárez-Lezcano, J.; Martinez-Rios, F.; Terán, J. E.; Aguilera-Mendoza, L. Distributed and multicore QuBiLS-MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra. J. Comput. Chem. 2020; 41, 1209-1227.
  • Mora, J. R; Marrero-Ponce, Y.; García-Jacas, C. R.; Suarez Causado, A. Ensemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches. Chem. Res. Toxicol. 2020 33, 1855-1873.
  • Aguilera Mendoza, L.; Marrero Ponce, Y.; García Jacas, C. R.; Chavez, E.; Beltran, J. E.; Guillen Ramirez, H. A.; Brizuela, C. Automatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach. Sci. Reports. 2020, 10, 18074.

2019

  • Pozo-Guerron, P., Armijos-Capa, G., Rincon, L., Mora, J.R., Torres, F.J, Rodriguez, V. A valence bond study of the activation of methyl halides bonds by electric fields J. Theor. Comp. Chem. (1019) DOI 10.1142/S021963361950007X
  • Torres, F.J., Rincón, L., Zambrano, C., Mora, J.R., Méndez, M. A review on the information content of the pair density as a tool for the description of the electronic properties in molecular systems Int. J. Quantum Chem. (2019), 119, e25763
  • Mora, J.R., Rincón, L., Torres, F.J., Zambrano, C.H., Muñoz, C. Theoretical study of the furfuryl benzoate and furfuryl acetate pyrolysis J. Phys. Org. Chem. (2019), 32, e3790

2018

  • Rincón, L., Torres, F.J., Becerra, M., Liu, S., Fritsch, A., Almeida, R. On the separation of the information content of the Fermi and Coulomb holes and their influence on the electronic properties of molecular systems Mol. Phys. (2018), In press.
  • Terán J. E., Torres, F.J., Zambrano, C., Mora, J. R., Rincón, L. Theoretical investigation of the mechanism for the reductive dehalogenation of methyl halides mediated by the CoI-based compounds cobalamin and cobaloxime J Mol. Mod. (2018), 24, 316
  • Rincón L., Torres, F.J., Almeida, R. Is the Pauli exclusion principle the origin of electron localization? Mol. Phys. (2018) 116, 578
  • Parra, R., 2018. Numerical system for forecasting volcanic ash dispersion in Ecuador. IEEE ETCM 2018. Third Ecuador Technical Chapters Meeting. 1 – 5. 10.1109/ETCM.2018.8580331.
  • Parra, R., 2018. Performance Studies of Planetary Boundary Layer Schemes in WRF-Chem for the Andean Region of Southern Ecuador. Atmospheric Pollution Research, 9, 411 – 528. https://doi.org/10.1016/j.apr.2017.11.011.
  • Parra R., 2018. Influence of Boundary Layer Schemes in Modeling the Dispersion and Sedimentation of Volcanic Ash in Ecuador. WIT Transaction on Ecology and the Environment, ISSN 1743-3541 (on-line), Volume 230, doi:10.2495/AIR180081.
  • Hidalgo, S., Battaglia, J., Arellano, S., Sierra, D., Bernard, B., Parra, R., et al., 2018. Evolution of the 2015 Cotopaxi eruption revealed by combined geochemical and seismic observations. Geochemistry, Geophysics, Geosystems, 19. https://doi.org/10.1029/ 2018GC007514.
  • Máryury Flores-Sumoza, Jackson J. Alcázar, Edgar Márquez, José R. Mora, Jesús Lezama and Esneyder Puello, Classical QSAR and Docking Simulation of 4-Pyridone Derivatives for Their Antimalarial Activity, molecules, 2018, 23, 3166.
  • José R. Mora, Edgar A Marquez, Luis Calle, Computational molecular modelling of N-cinnamoyl and hydroxycinnamoyl amides as potential α-glucosidase inhibitors, Medicinal Chemistry Research, 2018, 26, 2214-2223.
  • Maryury C. Flores, Edgar A. Marquez, José R. Mora, Molecular modeling studies of bromopyrrole alkaloids as potential antimalarial compounds: a DFT approach, Medicinal Chemistry Research, 2018, 27, 844-856.
  • José R. Mora, Cristian Cervantes, Edgar Marquez, New Insight into the Chloroacetanilide Herbicide Degradation Mechanism through a Nucleophilic Attack of Hydrogen Sulfide, Int. J. Mol. Sci., 2018, 19, 2864.
  • Montero-Oleas, A., Costa-Vera, C., Onofre, E. S., & Mendez, M. A., Protein detection in blood via a chimeric aptafluorescence assay: toward point-of-care diagnostic devices. Journal of Biomedical Optics, 23(09), 1.

2017

  • Aguilera-Pesantes, D., Robayo, L.E., Méndez, P., Mollocana, D., Marrero-Ponce, Y., Torres, F.J. Discovering key residues of dengue virus NS2b-NS3-protease: New binding sites for antiviral inhibitors design Biochem. Biophys. Res. Commun. (2017). 492, 631
  • Cortés-Arriagada, D., Toro-Labbe, A., Mora, J.R., Rincón, L., Mereau, R., Torres, F.J. Theoretical analysis of C–F bond cleavage mediated by cob[I]alamin-based structures J. Mol. Model. (2017), 23, 264.
  • Torres F. J., Ludeña E.V., Carrillo Y., Rincón L., Iza P., Zambrano D. Stability of finite subspaces in density functional theory: Application to simple atoms Int. J. Quantum Chem. (2017), 117, e25400
  • Mora J.R., Nuñez O., Rincón L., Torres F.J. Understanding the role of Zn2+ in the hydrolysis of glycylserine: a mechanistic study by using density functional theory Mol. Phys. (2017), 115, 403
  • Dávila, K.L., Contreras, R.R., Fontal, B., Torres, F.J., Rincón, L. An Alternative description of aromaticity in metallabenzenes J. Mex. Chem. Soc. (2017), 61, 97
  • Parra, R., 2017. Assessment of Planetary Boundary Layer Schemes of the WRF-Chem Model in the Simulation of Carbon Monoxide Dispersion in the Urban Area of Quito, Ecuador. WIT Transaction on Ecology and the Environment, ISSN: 1746-448X (online), Volume 211, DOI:10.2495/AIR170041DOI.
  • Bruno S. Souza, Jose R. Mora, Eduardo H. Wanderlind, Rosilene M. Clementin, Jose C. Gesser, Haidi D. Fiedler, Faruk Nome, and Fredric M. Menger, Transforming a Stable Amide into a Highly Reactive One: Capturing the Essence of Enzymatic Catalysis, Angew. Chem. Int. Ed. 2017, 56(19), 5345-5348.
  • Gonzalez, C., Squitieri, E., Framco, H., Rincon, L. Stationary Conditions of the Electron Density Along the Reaction Path: Connection with Conceptual DFT and Information Theory, J. Phys. Chem. 2017, 121, 648.
  • Seijas, L., Lunar, A., Rincon, L., Lunar, A. On the electron localization in HF cyclic clusters, Journal of Computational Methods in Sciences and Engineering 2017, 15, 5.
  • Aguilera-Pesantes, D., & Méndez, M. A Structure and sequence based functional annotation of Zika virus NS2b protein: Computational insights. Biochemical and Biophysical Research Communications, 492(4), 659–667.

2016

  • Urbina A.S., Zambrano C.H., Torres F.J., Rincón L.,  Insights on the aromaticity of imidazolylidene carbenes by means of DFT calculations Comp. Theor. Chem. (2016), 1094, 108
  • Rincón L., Mora J.R., Torres F.J., Almeida R.  On the activation of σ-bonds by electric fields: A Valence Bond perspective Chem. Phys. (2016), 477, 1
  • Urbina A.S., Torres F.J., Rincón L.,  The electron localization as the information content of the conditional pair density J. Chem. Phys. (2016), 144, 244104
  • Martínez-Santiago O., Marrero-Ponce Y., Barigye S.J., Thi Thu H.L., Torres F.J., Zambrano C.H, Muñiz Olite J.L, Cruz-Monteagudo M., Vivas-Reyes R., Vázquez L., Artiles L.M.  Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms Int. J Mol. Sci. (2016), 17, 812
  • Guzzardi L., Cazar, D.F., del Hierro, C. V., Torres, F.J., Mendez, M.A.   Mean residence time by heirarchical clsutering analysis  Theo. Chem. Acc. (2016), 135, 1
  • Becerra M., Real M., Espinosa-Gavilanes, C., Zambrano, C.H., Torres, F.J., Rincón, L.    On the thermodynamic stability of the intermolecular association between Lewis acids and Lewis bases: A DFT study  Theo. Chem. Acc. (2016), 135, 77
  • Parra R., Bernard B. Narváez, D., Le Pennec J.L., Hasselle N., Folch A., 2016. Eruption Source Parameters for forecasting ash dispersion and deposition from vulcanian eruptions at Tungurahua volcano: Insights from field data from the July 2013 eruption. Journal of Volcanology and Geothermal Research, 309, 1 – 13. DOI: 0.1016/j.jvolgeores.2015.11.001.

2015

  • Posligua V., Urbina A., Rincón L., Soetens J-C., Méndez M. A., Zambrano C. H., Torres F. J.  Theoretical Evaluation of Metal-functionalized rccc R-Pyrogallol [4] arenes as Media for Molecular Hydrogen Storage Comp. Theor. Chem. (2015), 1073, 75-83.
  • Rincón L., Almeida R., Contreras P.L, Torres F. J.  The information content of the conditional pair probability Chem. Phys. Lett. (2015), 635, 116-119

2014

  • Manzano S., Zambrano C. H., Méndez M.A., Dueno E. E., Cazar R., Torres F. J.  A theoretical study of the conformational preference of alkyl- and aryl-substituted Pyrogallol[4]arenes and evidence of the accumulation of negative electrostatic potential within the cavity of their rccc conformers Mol. Simulat. (2014), 40, 327-334
  • Parra R. 2014. Modeling the volcanic ash dispersion and deposition from El Reventador volcano eruption in Ecuador on November 3rd 2002. WIT Transaction on Ecology and the Environment, ISSN: 1743-3541, Volume 183, DOI: 10.2495/AIR140031.

2013

  • Rodríguez C.G., Urbina A.S., Torres F. J., Cazar D. Ludeña E.V.  Non-Born-Oppenheimer nuclear and electronic densities for a three-particle Hooke-Coulumb Comp. Theor. Chem. (2013), 1018, 26-34.

Eventos

Current Trends in Theoretical Chemistry 2019, USFQ, Quito, Ecuador

Repositorio de datos

El GICVE se conforma por investigadores de varias especialidades, interesados en estudiar la emisión, dispersión y sedimentación de ceniza volcánica en el Ecuador. Este tópico forma parte de las líneas de investigación del Departamento de Ingeniería Ambiental de la Universidad San Francisco de Quito.

Repositorios disponibles: 2

 

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Contacto
Profesor
Presidente Instituto de Simulación Computacional USFQ
Administrador HPC-USFQ
Oficina
Edificio Hayek, H103L
(+593 2) 297-1700
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