22nd CP2K Developer Meeting

The 22nd CP2K Developer Meeting, will take place on July 11th, 2017 at University of Zurich (Campus Irchel, Y34-K01, 10am - 6pm). In this one-day meeting we have 8 contributed talks and new developments and development strategies will be discussed.

• Juerg Hutter - Ongoing Developments and News from E-CAM Workshop
• Dorothea Golze - Fast evaluation of molecular integrals using solid harmonic Gaussian functions
• [break]
• Vladimir Rybkin - Implementing of Quantum Embedding Theories in CP2K

• [lunch]

• Tiziano Mueller - Functional-style programming with Fortran 2003
• Alfio Lazzaro - Moving DBCSR toward new horizon
• Ole Schuett - JupyterWiki - A platform for sharing workflows
• [break]

• Matt Watkins - “TDDFT and integral methods for 'implicit' solvation.”
• open discussion
• Sergey Chulkov - “Electron Transport based on the Non-Equilibrium Green's Function Method.”
• wrap-up