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Found 4 papers, 2 papers with code
Molecular Dynamics Simulations on Cloud Computing and Machine Learning Platforms
Increasingly, data-driven and machine learning approaches are being used to support, speed-up, and enhance scientific computing applications, especially molecular dynamics simulations.
Designing Machine Learning Surrogates using Outputs of Molecular Dynamics Simulations as Soft Labels
We recently introduced machine learning surrogates for molecular dynamics simulations of soft materials and demonstrated that artificial neural network based regression models can successfully predict the relationships between the input material attributes and the simulation outputs.
Solving Newton's Equations of Motion with Large Timesteps using Recurrent Neural Networks based Operators
Classical molecular dynamics simulations are based on solving Newton's equations of motion.
Modeling Constrained Preemption Dynamics Of Transient Cloud Servers
We introduce and develop a new probability model of constrained preemptions that is based on a large scale empirical study of over 1, 500 VM preemptions.
Distributed, Parallel, and Cluster Computing Systems and Control Systems and Control
