183 citations · 311 across the 8 of their papers we have counts for
9 papers
Conservative adaptive-precision interatomic potentials
David Immel, Ralf Drautz, Godehard Sutmann
Adaptive precision molecular dynamics simulations have developed along energy- and force-coupling approaches, which allow for a continuous transition between different particle des…
Nanoindentation simulations for copper and tungsten with adaptive-precision potentials
David Immel, Matous Mrovec, Ralf Drautz +1
We perform nanoindentation simulations for both the prototypical face-centered cubic metal copper and the body-centered cubic metal tungsten with a new adaptive-precision descripti…
Adaptive-precision potentials for large-scale atomistic simulations
David Immel, Ralf Drautz, Godehard Sutmann
Large-scale atomistic simulations rely on interatomic potentials providing an efficient representation of atomic energies and forces. Modern machine-learning (ML) potentials provid…
Kokkos-Based Implementation of MPCD on Heterogeneous Nodes
Rene Halver, Christoph Junghans, Godehard Sutmann
The Kokkos based library Cabana, which has been developed in the Co-design Center for Particle Applications (CoPA), is used for the implementation of Multi-Particle Collision Dynam…
Towards Blood Flow in the Virtual Human: Efficient Self-Coupling of HemeLB
J. W. S. McCullough, R. A. Richardson, A. Patronis +12
Many scientific and medical researchers are working towards the creation of a virtual human - a personalised digital copy of an individual - that will assist in a patient's diagnos…
Free energy function of dislocation densities by large scale atomistic simulation
Christoph Begau, Godehard Sutmann, Alexander Hartmaier
This paper discusses the free energy of complex dislocation microstructures, which is a fundamental property of continuum plasticity. In the past, multiple models of the self energ…