1.2k citations · 1.2k across the 3 of their papers we have counts for
3 papers
A Spectral Analysis Method for Automated Generation of Quantum-Accurate Interatomic Potentials
Aidan P. Thompson, Laura P. Swiler, Christian R. Trott +2
We present a new interatomic potential for solids and liquids called Spectral Neighbor Analysis Potential (SNAP). The SNAP potential has a very general form and uses machine-learni…
Glass former units and transport in ion-conducting network glasses
Michael Schuch, Christian Trott, Philipp Maass
A new theoretical approach is presented for relating structural information to transport properties in ion conducting network glasses. It relies on the consideration of the differe…
General-purpose molecular dynamics simulations on GPU-based clusters
Christian R. Trott, Lars Winterfeld, Paul S. Crozier
We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of L…