High Value from High Throughput: Harness the Power of LAMMPS with MedeA

Classical MD simulations with LAMMPS provide materials properties and understanding that accelerate materials design and optimization. High throughput computations open unprecedented opportunities to explore the many dimensions of a design space, well beyond the traditional sequential investigations of one system at a time. This presentation focuses on high value from such high throughput calculations, which are readily performed in the MedeA Environment.