Difference between revisions of "LabQSM"
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− | 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). |
− | 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 | + | 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 == | == 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]] | |
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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