The Dynamics of Condensed Matter Research Group (Prof. Thomas D. Kühne) and the Paderborn Center for Parallel Computing are co-organizing a users tutorial on
Computational Spectroscopy with CP2K
.The tutorial addresses beginners and practitioners and will cover the following topics:
- Gaussian Plane Wave (GPW) and Gaussian Augmented Plane Wave (GAPW) methods
- Ab-initio Molecular Dynamics & Nuclear Quantum Effects
- NEXAFS, NMR & Vibrational Spectroscopy (IR, Raman, VCD, ROA)
- Absolutely Localized Molecular Orbitals (ALMO)
- Implicit Solvent Methods & DFT+U
The tutorial will be held on August 27-29th at Paderborn University, Germany. Attendance is free of charge but participants must cover their own travel and accommodation costs. For more detailed information and to register go to:
https://pc2.uni-paderborn.de/teaching/trainings/cp2k-tutorial/
