Difference between revisions of "LabQSM"

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=== Module 3: Low dimensional structures (6h) ===
=== Module 3: Low dimensional structures (6h) ===
*[[Electronic properties of graphene]]
*[[Electronic properties 2D and 1D systems]]
*[[Electronic properties of a carbon nanotube]]

Revision as of 11:18, 1 April 2021

This is the homepage for the hands-on tutorial Laboratory of Quantum Simulation of Materials (LabQSM), a university (master-level) class on electronic structure methods, with a particular focus on density functional theory (DFT).

Starting from 2016/2017, this training material has been extensively used in Master degree in Physics of the University of Modena and Reggio Emilia (UniMoRe), fall terms.

Authors and credits: Andrea Ferretti and Daniele Varsano

Getting Started

Machine setup and Training material

Link to Selected Laboratories

Module 0: The Unix environment (3h)

Module 1: Basic DFT calculations and Convergences (9h)

Module 2: DFT simulations of Molecules (6h)

Module 3: Low dimensional structures (6h)