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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). | ||
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 | |||
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Revision as of 09:09, 16 December 2020
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
Lecture 0: The Unix environment
Lecture 1: Basic DFT calculations and Convergences
- Structural and electronic properties of semiconductors and metals
- Non self-consistent calculations: Band structures and Density Of States