• CE1: Students demonstrate their knowledge and understanding of the facts applying concepts, principles and theories related to the Theoretical Chemistry and Computational Modeling.
  • CE2: Students broaden and/or acquire knowledge of the basic methods of Quantum Chemistry and evaluate its applicability in a critical way.
  • CE3: Students acquire an overview of the different applications of the Theoretical Chemistry and modeling in the fields of Chemistry, Biochemistry, Materials Sciences, Astrophysics and Catalysis.
  • CE4: Students are able to make a contribution through an original research that extends the frontiers of knowledge in Chemical simulation, developing a substantial corpus that deserves, at least in part, the publication referenced at national level.
  • CE5: Students understand the basis of Statistical Mechanics formulated from the collectivities.
  • CE6: Students are familiar with the fundamental postulates of Quantum Mechanics necessary for a good understanding of the most common methods used in quantum chemistry
  • CE7: Students handle the most common programming techniques in physics and chemistry and are familiar with the essential computational tools in these areas.
  • CE8: Students are able to develop efficient programs in FORTRAN in order to use such tools in their daily work.
  • CE9: Students understand the basic principles of "ab initio" methodologies and Density Functional Theory
  • CE10: Students know theories and methods of calculation associated with kinetic processes and evaluate its applicability to the calculation of speed constants.
  • CE11: Student are familiar with computational techniques which, based on mechanics and molecular dynamics, are the basis for designing molecules of interest in fields such as pharmacology, petrochemistry, etc.
  • CE12: Students know and critically evaluate the applicability of advanced methods of quantum chemistry to quasi-generated systems, such as systems with transition metals or excited states (their spectroscopy and reactivity).
  • CE13: Students know the theories and calculation methods for the study of solids and surfaces. Critical evaluation of its applicability to problems of catalysis, magnetism, conductivity, etc.
  • CE14: Students know the existence of advanced computational techniques such as instruction and data channeling, superscalar and multiscalar processors, chain operations, parallel platforms, etc.
  • CE15: Students have the ability to handle the main sources of scientific information related to Theoretical Chemistry and Computational Modeling. They are able to search for relevant information in web pages of structural data, physical chemical experimental data, databases of molecular calculations, databases of scientific bibliography and scientific works.
  • CE16: Students understand the theoretical and practical bases of computational techniques with which they can analyze the electronic, morphological and structural structure of a compound and interpret the results adequately.
  • CE17: Students know how to calculate partition functions and apply quantum and classical statistics to the ideal systems of interest in Chemistry.
  • CE18: Students possess the necessary mathematical basis for the correct treatment of the symmetry in atoms, molecules and solids, with emphasis in the possible applications.
  • CE19: Students are able to discern between the different existing methods and know how to select the most appropriate method for each problem.
  • CE20: Students understand and manage the mathematical tools required for the development of theoretical chemistry both in fundamental aspects and applications.