Home  >  Study > University master's degree courses > A > Atomistic and Multiscale Computational Modelling in Physics, Chemistry and...

Atomistic and Multiscale Computational Modelling in Physics, Chemistry and Biochemistry

Skills and competences

  • Skills to deliver scientific presentations orally and in written form in the three languages used in the master's degree.
  • Capacity to consult and understand information from scientific literature and databases, and to analyse scientific and technical documents in English.
  • Ability to work in a coordinated manner in the preparation and development of a project.
  • Capacity to apply the acquired knowledge to problem-solving in new or relatively unknown environments.
  • Capacity for analysis, synthesis, global perspectives, and the application of knowledge to practical cases.
  • Ability to work in IT environments associated with the supercomputing employed in applications for atomistic and multiscale modelling.
  • Capacity to write in high-level programming languages and understand the basic concepts of parallelization and optimization of programs.
  • Capacity to write scripts to perform complex tasks involving different programs and operating system commands.
  • Understanding of the mathematical bases of the most common modelling methods and their computational numerical implementation.
  • Understanding of the different length and time scales in nature and the physico-mathematical formalism applied in each of them.
  • Understanding of the physical laws that govern the behaviour of physico-chemical systems relevant to balance (solids, fluids, solutions, surfaces, interfaces, macromolecules, colloids, biopolymers, nanoparticles, etc.) in conditions of balance.
  • Understanding of the physical laws that govern the behaviour of systems out of balance (relaxation processes, transport phenomena, chemical reactivity, reaction-diffusion processes, phase changes in physico-chemical and biochemical systems, metabolic processes, signal transduction, etc.)
  • Capacity to evaluate and select the length and time scales in which a phenomenon occurs, given a material, physical or chemical phenomenon or complex system to be modelled.
  • Capacity to evaluate and select the best simulation and modelling techniques to describe a phenomenon in terms of its spatial and temporal scale, given a particular material, physical or chemical phenomenon or complex system to be modelled.
  • Understanding of the limits of computational implementation for each methodology studied, and the ability to discern the most appropriate approach for each real case study.
  • Capacity to use different software packages to study the electronic structure of molecules and solids, as well as their transport properties and chemical reactivity.
  • Capacity to use different software packages to study the structure and properties of solids, fluids, solutions, macromolecules, biopolymers, surfaces, nanoparticles, interfaces and colloids.
  • Capacity to use the different software packages available that allow the application of different standard molecular modelling techniques.
  • Understanding of the concepts behind simulation techniques based on force fields and multiscale simulation techniques based on coarse-graining models.

  • Follow us:
  • Button to access University of Barcelona's Facebook profile
  • Button to access University of Barcelona's Twitter profile
  • Button to access University of Barcelona's Instagram profile
  • Button to access University of Barcelona's Linkedin profile
  • Button to access University of Barcelona's Youtube profile
  • Button to access University of Barcelona's Google+ profile
  • ??? peu.flickr.alt ???
Member of International recognition of excellence HR Excellence in Research logo del leru - League of European Research Universities logo del bkc - campus excel·lència logo del health universitat de barcelona campus

© Universitat de Barcelona