Difference between revisions of "LabQSM"

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== Link to Selected Laboratories ==
 
== Link to Selected Laboratories ==
  
=== Lecture 0: The Unix environment ===
+
=== Module 0: The Unix environment (3h)===
 
* [[Warming up with Unix commands]]
 
* [[Warming up with Unix commands]]
 
* [[Scripting]]
 
* [[Scripting]]
 
* [[Plotting and visualization tools]]
 
* [[Plotting and visualization tools]]
  
=== Lecture 1: Basic DFT calculations and Convergences ===
+
=== Module 1: Basic DFT calculations and Convergences (9h) ===
 
* [[Structural and electronic properties of semiconductors and metals]]
 
* [[Structural and electronic properties of semiconductors and metals]]
 
* [[Non self-consistent calculations: Band structures and Density Of States]]
 
* [[Non self-consistent calculations: Band structures and Density Of States]]
  
=== Lecture 2: DFT simulations of Molecules ===
+
=== Module 2: DFT simulations of Molecules (6h) ===
 
*[[Electronic properties of isolated molecules]]
 
*[[Electronic properties of isolated molecules]]
  
=== Lecture 3: Surfaces and Low dimensional structures ===
+
=== Module 3: Low dimensional structures (6h) ===

Revision as of 08:50, 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)