Description
Session Chair: Tim Callow
With the dawn of novel high-power laser facilities, unprecedented energies and intensities have been achieved to access previously unseen extreme states of matter. These states not only span over a wide range of conditions, but also time scales. However, all our theoretical models and connected computer simulations are limited to specific parameter spaces and time scales. This means that no...
Molecular dynamics (MD) is a powerful materials simulation approach whose accuracy is limited by the interatomic potential (IAP). The quest for improved accuracy has resulted in a decades-long growth in the complexity of IAPs, many of which are now implemented in Sandia's LAMMPS MD code[1]. Traditional physics-based IAPs are now being rapidly supplanted by machine-learning IAPs. In 2015 we...
Modeling warm dense matter is relevant for various applications including the interior of gas giants and exoplanets, inertial confinement fusion, and ablation of metals. Ongoing and upcoming experimental campaigns in photon sources around the globe rely on numerical simulations which are accurate on the level of electronic structures. In that regard, density functional theory molecular...
Our presentation will first introduce a methodology aiming at simulating magneto-elastic phenomena. The approach is based on coupled classical spin dynamics and molecular dynamics. We will review the approach and its implementation in the LAMMPS code. After describing recent success of this methodology, we will point at some of its limitations.
We will then show how machine-learning...
