events:2016_user_meeting:index
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CP2K UK Users Meeting 2016
Material from the Third Annual CP2K UK Users Meeting, held at the King's College London on 22nd February 2016.
Slides
- Introduction & CP2K-UK Update, Iain Bethune
- Summary of new & upcoming development in CP2K, Joost VandeVondele
- Dynamics of flexible nanoporous materials using CP2K Metadynamics, François-Xavier Coudert
- Vibrational Analysis Calculations, Tobi Krämer
- Filter Matrix Diagonalisation and RESP Charge Fitting, Lianheng Tong
- Fast and reliable hybrid functional calculations using ADMM, Sanliang Ling
Lightning Talks
events/2016_user_meeting/index.1481716067.txt.gz · Last modified: 2020/08/21 10:14 (external edit)