Search Results for author: Arthur France-Lanord

Found 2 papers, 1 papers with code

Accelerating the screening of amorphous polymer electrolytes by learning to reduce random and systematic errors in molecular dynamics simulations

no code implementations13 Jan 2021 Tian Xie, Arthur France-Lanord, Yanming Wang, Jeffrey Lopez, Michael Austin Stolberg, Megan Hill, Graham Michael Leverick, Rafael Gomez-Bombarelli, Jeremiah A. Johnson, Yang Shao-Horn, Jeffrey C. Grossman

We demonstrate that a multi-task graph neural network can learn from a large amount of noisy, biased data and a small number of unbiased data and reduce both random and systematic errors in predicting the transport properties of polymer electrolytes.

Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics in Materials

1 code implementation18 Feb 2019 Tian Xie, Arthur France-Lanord, Yanming Wang, Yang Shao-Horn, Jeffrey C. Grossman

Understanding the dynamical processes that govern the performance of functional materials is essential for the design of next generation materials to tackle global energy and environmental challenges.

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