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Software Tools for Computational Science

Description

This course will not be offered in the academic year 2020/21

 

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COURSE OBJECTIVES

  • Knowledge of compilation of molecular simulation codes
  • Preparation of inputs for molecular simulations
  • Running of molecular simulations on standard workstations and supercomputers
  • Analysis of the data obtained from a molecular simulation
  • Presentation of the results for an oral communication

 

COURSE DESCRIPTION
This is an "hands-on" course in which we study software programs used to run and analyse computer simulations in chemistry and biology. In particular, we focus on visualisation of molecules, tools to set up and analyse atomistic and coarse grained simulations. Lectures are alternated with practical sessions to familiarise with the software programs.

 

LEARNING METHODS
Teaching method: tutorial sessions + hands-on sessions on the codes Problem-Based Learning Team-Based Learning Group discussion


 

EXAMINATION INFORMATION
The course will be evaluated through assignments and a final oral presentation with the support of slides prepared by the student

 

REFERENCES

  • The material needed for this course will be offered by the teacher

People

 

Limongelli V.

Course director

Additional information

Semester
Fall
Academic year
2020-2021
ECTS
3
Language
English
Education
Master of Science in Computational Science, Elective course, Lecture, 2nd year