Difference between revisions of "LabQSM"
Jump to navigation
Jump to search
| (9 intermediate revisions by 2 users not shown) | |||
| Line 1: | Line 1: | ||
| − | This is the homepage for the hands-on tutorial '''Laboratory of Quantum Simulation of Materials''' (LabQSM) | + | 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. | 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 | ||
<!-- | <!-- | ||
| Line 16: | Line 18: | ||
== Link to Selected Laboratories == | == Link to Selected Laboratories == | ||
| − | === | + | === 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]] | ||
| − | === | + | === 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]] | ||
| − | === | + | === Module 2: DFT simulations of Molecules (6h) === |
| + | *[[Electronic properties of isolated molecules]] | ||
| + | |||
| + | === Module 3: Low dimensional structures (6h) === | ||
| − | + | *[[Electronic properties of 2D and 1D systems]] | |
Latest revision as of 11:22, 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)
- Structural and electronic properties of semiconductors and metals
- Non self-consistent calculations: Band structures and Density Of States