The course aims to provide an introduction to computational techniques used in molecular modeling and simulation, and to illustrate how these techniques can be used to describe and / or predict chemical, physical and biological phenomena.
Molecular Simulation
Learning Goals
Program in pills
Introduction to molecular simulation. Potential energy surfaces. Molecular surfaces. Computational chemistry literature. Molecular mechanics: models of empirical / ab initio force fields. Molecular energy minimization and methods of analyzing molecular energy surfaces. Computer atomistic molecular dynamics simulation methods. Mesoscopic simulation methods.
Area
Mathematical and statistical modelling
Curriculum Foundations
TAF Type
Curriculum Industry
TAF Type
Curriculum Health
TAF Type
Curriculum Economy
TAF Type
SSD
ECTS
Semester
Lecturers
Erik Laurini