Molecular Modeling Training Series
Quantum Espresso and CP2K
19 nov. 2026 12:30 - 17:30
The aim of this course is to provide participants with an introduction to density functional theory workflows and selected simulation approaches using Quantum ESPRESSO and CP2K. The course consists of lectures, demonstrations, and hands-on exercises.
Praktische info:
19 nov. 2026 12:30 - 17:30
5
uur
Online
Engels
Doelgroep: Researchers and students
Leertraject
Inschrijven?
- Voorwaarden: Basic familiarity with Linux, command line usage, and molecular modeling concepts is recommended.
- Prijs: Gratis
georganiseerd door:
The topics covered are:
- Introduction to density functional theory
- Introduction to Quantum ESPRESSO
- Introduction to CP2K
- Practical simulation workflows using HPC resources
Schedule (all times in CET)
- 12:30 - 13:00: Introduction to Density Functional Theory
- 13:00 - 15:15: Quantum ESPRESSO
- 15:15 - 15:30: Break
- 15:30 - 17:30: CP2K