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.

• 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

• David Abbasi-Perez
• Antonie Carof
• Sergey Chulkov
• Artem Fediai
• David Gao
• Chiara Paris
• Eva Perlt