How to import OVA file ?

Preworkshop session | Virtual Box, Linux OS, commands and scripts

Module_01

Live session_01 ( Introduction to DFT and Virtual Machine (VM) Setup)

Day_1

Live session_02 (Installation of Quantum ESPRESSO and SCF Calculations)

Quantum Espresso Basics: SCF Input & Output Explained (explained for bulk Si system)

Tar file

Day_2

Live session_03 (Geometry & Cell Parameter Optimization )

tar file

Optimize Plane Wave Cutoff (Part-1)

Graphene Relaxation (Part-2)

Day_3

Live session_04 (Band Structure and Density of States (DOS) plotting )

Optimize Metallic Systems: Smearing & K-Points Explained! (Part 1)

Density of States Explained: Step-by-Step Guide (Part 2)

Band Calculations  (Part 3)

Day_4

Live session_05 (Magnetic simulations)

Day_5

Assignments

Submit your assignments

Linux Cheat Sheet

Rsync cheatsheet

Vim Cheatsheet

sort & uniq

grep

Resources

A 7-day hands-on workshop tailored for researchers and students interested in computational materials science. Learn how to simulate and analyze materials using Quantum ESPRESSO, a powerful open-source suite for electronic-structure calculations and materials modeling.💻 Who is this for? Beginners with a basic understanding of quantum mechanics, solid-state physics or chemistry, and Linux terminal usage (recommended, not required).👨‍🏫 Meet the Instructors Experts from leading institutions including IISER Pune, CSIR NCL, Jamia Millia Islamia, Université Aix-Marseille, and Gdańsk University of Technology.📅 Workshop Schedule<ul><li>Day 0 (June 7): VM Setup, Linux, Shell/Bash Scripting</li><li>Day 1 (June 12): Introduction to DFT and Virtual Machine Setup</li><li>Day 2 (June 13): Installation &amp; SCF Calculations</li><li>Days 3–4: Practice Sessions</li><li>Day 5 (June 16): Geometry &amp; Cell Parameter Optimization</li><li>Day 6 (June 17): Band Structure &amp; DOS Plotting</li><li>Day 7 (June 18): Magnetic System Simulations</li></ul>🔍 Topics Covered<ul><li>Density Functional Theory (DFT)</li><li>Quantum ESPRESSO installation and setup</li><li>SCF calculations, geometry optimizations</li><li>Electronic structure analysis: band structures and DOS</li><li>Magnetic simulations and surface slab construction</li></ul>🎯 Workshop Features<ul><li>Beginner-friendly, project-based learning</li><li>Live interactive sessions with Q&amp;A</li><li>Lifetime access to recordings and materials</li><li>Personalized support from mentors</li><li>Certificate of Completion upon project submission</li></ul>💰 Fee: ₹1999 INR | $25 USD 📍 Register Now: <a target="_blank" href="http://qe.scidart.com">qe.scidart.com</a> 📩 Contact: <a target="_blank" href="mailto:scidartacademy@gmail.com">scidartacademy@gmail.com</a> | +91 94472 67129


Learn the basics of materials modeling with Quantum ESPRESSO in this 7-day beginner-friendly workshop. Get hands-on with DFT, SCF calculations, band structure plotting, and magnetic simulations. Includes live expert sessions, pro

Quantum Espresso Online Workshop (June 2025)

Language

Level

What you will learn

Understand the fundamentals of Density Functional Theory (DFT) and its applications.

Set up and configure a virtual machine environment for simulations.

Install and run Quantum ESPRESSO for self-consistent field (SCF) calculations.

Perform geometry optimization and determine equilibrium lattice parameters.

Plot and interpret band structures and density of states (DOS).

Simulate magnetic systems using spin-polarized calculations.

Analyze output files and troubleshoot common simulation issues.

Apply learned concepts to independently run materials simulations for research.

Course content

Course Description

This Course Includes