1.1 -To understand the postulates of quantum mechanics and their conceptual and mathematical implications.
1.10 - To identify the computational methods that can be assisted by artificial intelligence techniques.
1.11 - To understand the operation of the UNIX/Linux operating system both at the user and system administrator levels.
1.12 - To understand the mathematical tools required for the development of Theoretical Chemistry in its fundamental aspects and applications.
1.2 - To identify the main methods used in quantum chemistry to solve the Schrödinger equation and to predict the electronic structure of molecules and systems in condensed phases: systems in solution, in the solid phase, and the description of surface properties.
1.3 - To understand the principles of statistical mechanics, enabling the recognition of the equations that bridge the microscopic and macroscopic worlds, and thus allowing the determination of properties in biological systems and other systems of interest.
1.4 - To understand the programming languages most widely used in scientific applications: Python and Fortran.
1.5 - To identify the main methods used to perform dynamic studies at the molecular level and to calculate thermodynamic properties.
1.6 - To identify structural properties and their connection to the symmetry of the system.
1.7 - To describe the interaction of light with matter and to identify the main methodologies used to study this interaction.
1.8 - To identify the different numerical methods used to approximately solve the equations of quantum mechanics.
1.9 - To understand the main machine learning algorithms (regression, classification, clustering, neural networks) and their applicability.
2.1 - To identify the most relevant characteristics of a chemical, physical, or biological system in order to choose the most appropriate classical and/or quantum methods to describe it as accurately as possible.
2.2 - To efficiently program computational algorithms, or select one or more existing ones, in order to carry out simulations of interest that solve a specific chemical, physical, or biological problem.
2.3 - To develop new computational chemistry methods, or extend existing ones, in order to study known problems without known solutions or problems that have not yet been formulated.
2.4 - To organize and analyze the results obtained from computational simulations in a logical, objective, and quantitative manner, in order to draw conclusions that provide relevant information about the characteristics of the system under study.
2.5 - To find relevant scientific information in Theoretical Chemistry and Computational Modeling on websites with structural data, chemical and physical experimental data, molecular calculation databases, and, in general, in scientific bibliographic databases.
2.6 - To develop programs in various programming languages to perform quantum or classical simulations or to analyze their results.
3.1 - To defend a scientific hypothesis or a set of conclusions drawn from research in the face of criticism from oneself or other professional colleagues.
3.2 - To judge and evaluate in a scientific and objective manner both the research conducted by oneself and that carried out by colleagues.
3.3 - To predict and explain the behavior of chemical, physical, or biological systems through the interpretation of computational simulations, in a way that complements the information obtained from experimental measurements.
3.4 - To develop critical thinking and reasoning skills and know how to communicate them.
3.5 - To demonstrate the ability to work in a team both at a multidisciplinary level and with peers, showing mutual respect.
3.6 - To predict and solve complex situations using effective work methodologies adapted to scientific, research, and professional environments.
3.7 - To communicate the advancement of scientific and technological knowledge in academic and professional contexts.
3.8 - To produce digital content and tools guided by professional ethics, promoting the use of new technologies that are safe for society.
