Quantum Espresso Online Workshop (June 2025)
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
Language
english
Level
Beginner
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 Description
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
Day 0 (June 7): VM Setup, Linux, Shell/Bash Scripting
Day 1 (June 12): Introduction to DFT and Virtual Machine Setup
Day 2 (June 13): Installation & SCF Calculations
Days 3–4: Practice Sessions
Day 5 (June 16): Geometry & Cell Parameter Optimization
Day 6 (June 17): Band Structure & DOS Plotting
Day 7 (June 18): Magnetic System Simulations
🔍 Topics Covered
Density Functional Theory (DFT)
Quantum ESPRESSO installation and setup
SCF calculations, geometry optimizations
Electronic structure analysis: band structures and DOS
Magnetic simulations and surface slab construction
🎯 Workshop Features
Beginner-friendly, project-based learning
Live interactive sessions with Q&A
Lifetime access to recordings and materials
Personalized support from mentors
Certificate of Completion upon project submission
💰 Fee: ₹1999 INR | $25 USD
📍 Register Now: qe.scidart.com
📩 Contact: [email protected] | +91 94472 67129
- Free
This Course Includes
Personal support from experts
Certification
Lifetime access
Live session recordings
Community platform