Molecular Simulation

Learning Goals

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.

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

D

Curriculum Economy
TAF Type

SSD

ING-INF/24

ECTS

6

Semester

1

Lecturers

Erik Laurini