CP2K for atomic and molecular simulations

CP2K is a free software (GPL) to perform atomic and molecular simulations of the different states of matter by using several methods (DFT with GPW approach, classical pair potentials ...). It has become one of the most used calculation codes in the field of molecular dynamics, especially on HPC platforms, such as the PSMN mesocenter at ENS Lyon.

The goal of this meeting is to bring together developers and (potential) users of CP2K interested in simulating challenging systems, with a focus on interfaces in order to foster collaborations and new developments. Theoretical models, numerical methods and implemented algorithms and their performance for massively parallel architectures will be discussed, illustrating the main features and capacities of the code in recent applications.

This meeting is organized as part of the workshops of the Rhône-Alpes node of CECAM and is supported by the CECAM-FR-RA, the Blaise Pascal Center and the PSMN.

Organizing committee : 

  • Carine MICHEL (LCL, ENS de Lyon)
  • Cerasela CALUGARU (CBP/PSMN, ENS de Lyon)
  • Stephan STEINMANN (LCL, ENS de Lyon)

The conference will be held in the conference room 1, place de l'Ecole (ENS de Lyon, MONOD site).

A poster session is organized. You can propose a poster by giving the title and a short abstract in your space (after registration is done).

Registration is free of charge but mandatory.


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