Course

CH-452: Computational methods in molecular quantum mechanics

Summary

This course will discuss the main methods for the simulation of quantum time dependent properties for molecular systems. Basic notions of density functional theory will be covered. An introduction to simulating nuclear quantum effects for adiabatic and non adiabatic dynamics will be provided.

Lectures

Instructor

Sara Bonella

Expertise Simulation and modelling of condensed phase systems, quantum and classical dynamics and statistical mechanics, adiabatic dynamics for classical polarizable models and first principles simulations, classical charge transport for systems in external magnetic fields. Expertise Simulation and modelling of condensed phase systems, quantum and classical dynamics and statistical mechanics, adiabatic dynamics for classical polarizable models and first principles simulations, classical charge transport for

Official source

https://edu.epfl.ch/coursebook/en/computational-methods-in-molecular-quantum-mechanics-CH-452

Moodle Page

http://go.epfl.ch/CH-452

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Summary

Lectures

Instructor

Sara Bonella

Official source

https://edu.epfl.ch/coursebook/en/computational-methods-in-molecular-quantum-mechanics-CH-452

Moodle Page

http://go.epfl.ch/CH-452

About this result

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