CP2K UK Users Meeting 2017

Material from the Fourth Annual CP2K UK Users Meeting, held at the Edinburgh University on 9th January 2017.

• Introduction & CP2K-UK Update, Iain Bethune
• CP2K: Selected Developments, Jürg Hutter
• An illustrated and illustrative tour of recent work with CP2K, Ben Slater
• Time Dependent DFT calculations with CP2K, Matt Watkins
• Probing the Origins of Intermolecular Vibrational and Relaxational Dynamics in Organic Solids with CP2K , Michael Ruggiero
• Calculation of redox potentials and pKa’s using DFTMD, Jun Cheng

• Razak El-Maslmane
• Dibyajyoti Ghosh
• Nico Holmberg
• Zheng Jiang
• Sanliang Ling
• Fiona Reid
• Guido Falk von Rudorff