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11/11/2021
Molecular Dynamics Simulations on Cloud Computing and Machine Learning Platforms
Scientific computing applications have benefited greatly from high perfo...
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10/27/2021
Designing Machine Learning Surrogates using Outputs of Molecular Dynamics Simulations as Soft Labels
Molecular dynamics simulations are powerful tools to extract the microsc...
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08/24/2020
Integrating Machine Learning with HPC-driven Simulations for Enhanced Student Learning
We explore the idea of integrating machine learning (ML) with high perfo...
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04/12/2020
Simulating Molecular Dynamics with Large Timesteps using Recurrent Neural Networks
Molecular dynamics simulations rely on numerical integrators such as Ver...
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11/12/2019
Modeling Constrained Preemption Dynamics Of Transient Cloud Servers
In this paper, we conduct a first of its kind empirical study and statis...
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02/27/2019