Master in Molecular Simulation

General

Program Description

Presentation

This University Master's Degree in Molecular Simulation has as a fundamental objective to train undergraduate students of some degrees of the Branch of Sciences, Engineering and Architecture and Health Sciences, so that they acquire advanced knowledge in techniques and methodologies in the field of classical molecular simulation. This advanced training, and at the same time specific to master studies, will allow them to successfully face the completion of a doctoral thesis in research groups whose theme focuses on this scientific field.

The Master is designed so that students who have training primarily in the Science Branch can directly access. However, and given the multidisciplinary nature of the Degree, students with training in the Branches of Engineering and Architecture and Health Sciences will also be allowed access. The following will be considered preferred degrees:

  • Degree in Physics.
  • Degree in Chemistry.
  • Degree in Experimental Sciences.
  • Degree in Environmental Sciences.
  • Degree in Geology.
  • Degree in physics.
  • Bachelor of Chemistry.
  • Degree in Environmental Sciences.
  • Bachelor of Geology.

All aspects related to the pre-registration and registration process will be subject to public information, integrated and coordinated through the web pages of the Andalusian Unique University District, the Postgraduate Office of the International University of Andalusia and the rest of the services corresponding to the participating universities

goals

As objectives of this Master, we highlight the specific competences that students will develop in the course of the designed program:

CE1

Being able to work in the computer environments that are used in the context of molecular simulation

CE2

Being able to develop scripts to perform complex tasks that involve different programs and operating system commands

CE3

Being able to create basic algorithmic structures, in a modular way, in the context of high-level programming languages

CE4

Being able to develop programs in high-level programming languages in the context of molecular simulation

CE5

Understand the mathematical foundations of the most common modeling methods and their computational numerical implementation

CE6

Understand the physical and chemical macroscopic laws of systems in equilibrium conditions: thermodynamic properties and phase equilibrium of pure substances and mixtures

CE7

Understand the fundamental principles of Statistical Mechanics of equilibrium and non-equilibrium, including thermodynamic, structural and dynamic properties

CE8

Understand the basic techniques of Monte Carlo and Molecular Dynamics based on molecular interaction potentials and be able to develop subroutines and programs in the context of molecular simulation

CE9

Understand the advanced techniques of Monte Carlo and Molecular Dynamics and be able to create programs that allow determining the behavior of complex systems in the context of molecular simulation

CE10

Given a material, physical or chemical phenomenon or complex system whose behavior you want to simulate, be able to analyze, assess and decide which simulation techniques are most appropriate to predict their macroscopic properties

CE11

Know how to write, synthesize, present the scientific results on paper, transparencies, posters, as well as in master's thesis, both written and in presentations


Brief description of the temporal distribution of the curriculum.

The choice of the position of the fundamentals and methodologies modules is not accidental. They are the basis on which the student's training is built and so he can later acquire the different simulation techniques. In a similar way the temporary distribution of the Title is conformed, programmed so that the Master can be completed in 12 months, from November of the first year to November of the following year. The teachings are organized as follows:

- Basic Fundamentals Module (8 weeks). It is taught in 8 weeks, from the beginning of November to the middle of January. During the first 7, teaching is taught in the following subjects, using the last one for evaluation activities:

  • Physical and chemical bases of Thermodynamics.
  • Physical and chemical bases of Statistical Mechanics.

- Computational Methodologies Module (8 weeks). It is taught in 8 weeks, from mid-January to mid-March. During the first 7, teaching is taught in the following subjects and the last one is used for evaluation activities:

  • Operating Systems and Programming.
  • Numerical methods.

- Simulation Techniques Module (16 weeks): It is taught in 16 weeks, from mid-January to mid-July. A similar scheme is followed to that used during the first 16 weeks, teaching the following subjects in 7-week blocks, leaving one week free for evaluation activities:

  • Basic methods of molecular simulation.
  • Advanced Molecular Dynamics
  • Monte Carlo advanced.
  • Molecular simulation packages.
Last updated Mar 2020

About the School

La Universidad de Huelva es una institución al servicio de la sociedad que, en el marco de los valores constitucionales, y como entidad de derecho público, dotada de personalidad jurídica, cumple sus ... Read More

La Universidad de Huelva es una institución al servicio de la sociedad que, en el marco de los valores constitucionales, y como entidad de derecho público, dotada de personalidad jurídica, cumple sus fines y desarrolla sus funciones, de acuerdo con la legislación vigente, en régimen de autonomía. Read less