Difference between revisions of "LabQSM"
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− | This is the homepage for the hands-on tutorial ''Laboratory of | + | 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). |
− | 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 | ||
+ | |||
+ | <!-- | ||
+ | * Next: [[Warming up with Unix commands]] | ||
+ | --> | ||
+ | |||
+ | == Getting Started == | ||
+ | |||
+ | === Machine setup and Training material === | ||
+ | * [[Getting Started#Machine setup| Machine setup]] | ||
+ | * [[Getting Started#Training material| Training material]] | ||
+ | |||
+ | == Link to Selected Laboratories == | ||
+ | |||
+ | === Module 0: The Unix environment (3h)=== | ||
+ | * [[Warming up with Unix commands]] | ||
+ | * [[Scripting]] | ||
+ | * [[Plotting and visualization tools]] | ||
+ | |||
+ | === 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]] | ||
+ | |||
+ | === 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 10:22, 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