Integrative teaching
Exercises
Examination procedure
Oral exam
Prerequisites
Prerequisites: Masters degree courses in Physics, Chemistry, Biology. The course is suggested for PhD and Masters degree students.
Syllabus
The aim of the course is to provide an overview of the theories and methodologies currently used in various fields of computational molecular sciences, ranging from biomedical sciences to material sciences. A special focus will be devoted to those models and algorithms related to molecular simulation techniques, including enhanced sampling and free energy methods. Such models will be illustrated along with relevant examples taken from recent literature and concerning different molecular modeling applications.
Bibliographical references
Molecular Modelling: Principles and Applications (2nd Edition), Leach
Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science) 2nd Edition, Frenkel
Additional articles and reference material will be provided in class.