CP2K, one of the MaX flagship codes, is a robustly parallelised, modern code with different functionalities, from classical molecular dynamics to electronic structure calculations, from GW to TDDFT, from QMMM to Potential and free energy methods and Monte Carlo. With…
MaX (Materials design at the exascale) and its partners are leading the research of innovative materials, modelling and simulation toward a new era. MaX has achieved an ambitious goal of enabling the exascale transition in the materials domain through cutting-edge…
Tagged with: AiidA
, Quantum Espresso
The PRACE Spring School 2016 and E-CAM Tutorial on Molecular and Atomic Modelling will take place on 16-21 May 2016 at University College Dublin, Dublin, Ireland.