Difference between revisions of "LabQSM"

From Wiki Max
Jump to navigation Jump to search
Line 10: Line 10:
 
== Getting Started ==
 
== Getting Started ==
  
[[Getting Started#Machine setup| Machine setup]]
+
=== Machine setup and Training material ===
[[Getting Started#Training material| Training material]]
+
* [[Getting Started#Machine setup| Machine setup]]
 +
* [[Getting Started#Training material| Training material]]
  
 
== Link to Selected Laboratories ==
 
== Link to Selected Laboratories ==

Revision as of 10:07, 16 December 2020

This is the homepage for the hands-on tutorial Laboratory of Quantum Simulation of Materials (LabQSM) held by Andrea Ferretti and Daniele Varsano, 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.


Getting Started

Machine setup and Training material

Link to Selected Laboratories

Lecture 0: The Unix environment

Lecture 1: Basic DFT calculations and Convergences

Lecture 2: DFT simulations of Molecules

Lecture 3: Surfaces and Low dimensional structures