Robuta

https://www.nist.gov/programs-projects/molecular-dynamics-simulation-heat-transport-gate-all-around-transistors
Thermal efficiency of semiconductor devices is pivotal to their operation and performance, especially now that the dimensions of transistor features are...
molecular dynamics simulationgate all aroundheat transport
https://zenodo.org/records/10850991
Indentation is one of the most widely used methods to determine the characteristics of metallic materials. Molecular dynamics (MD) simulations are a powerful...
molecular dynamics simulationsupplementarymaterialnanoindentation
https://www.graphcore.ai/posts/leveraging-the-ipu-for-molecular-dynamics-simulation
Deep learning provides a new means to analyze the force of atoms. Here, IPU hardware is leveraged for water molecule simulation and the DeePMD-kit is used for...
molecular dynamics simulationleveragingipu