CP2K UK Users Meeting 2018

Material from the Firth Annual CP2K UK Users Meeting, held at Lincoln University on 12th January 2018.

• Introduction & CP2K-UK Update, Iain Bethune
• Irradiation of matter from first-principles with CP2K: DNA and other applications, Jorge Kohanoff
• Basis Set Testing, Tiziano Müller
• Constrained DFT, Nico Holmberg
• Transport Calculations via the NEGF method, Sergey Chulkov and Matt Watkins
• System setup and Analysis with TETR and LEV00, Lev Kantorovitch

• Stephen Cox
• Matthew Krzystyniak
• David Benoit
• Natalia Martsinovich