activity
20092021
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 5.1k across the 8 of their papers we have counts for

collaborators
Showing physics.comp-phShow all

2 papers · 1 filter

physics.comp-ph2020★ 12 cited

Large scale simulation of pressure induced phase-field fracture propagation using Utopia

Patrick Zulian, Alena Kopaničáková, Maria Giuseppina Chiara Nestola +4

Non-linear phase field models are increasingly used for the simulation of fracture propagation models. The numerical simulation of fracture networks of realistic size requires the…

physics.comp-ph2018★ 31 cited

Pushing Back the Limit of Ab-initio Quantum Transport Simulations on Hybrid Supercomputers

Mauro Calderara, Sascha Brueck, Andreas Pedersen +3

The capabilities of CP2K, a density-functional theory package and OMEN, a nano-device simulator, are combined to study transport phenomena from first-principles in unprecedentedly…