Search Results for author: Yang Shao-Horn

Found 3 papers, 3 papers with code

A cloud platform for automating and sharing analysis of raw simulation data from high throughput polymer molecular dynamics simulations

2 code implementations • 2 Aug 2022 • Tian Xie, Ha-Kyung Kwon, Daniel Schweigert, Sheng Gong, Arthur France-Lanord, Arash Khajeh, Emily Crabb, Michael Puzon, Chris Fajardo, Will Powelson, Yang Shao-Horn, Jeffrey C. Grossman

We create a public analysis library at https://github. com/TRI-AMDD/htp_md to extract multiple properties from the raw data, using both expert designed functions and machine learning models.

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Code

Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties

2 code implementations • 13 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

Polymer electrolytes are promising candidates for the next generation lithium-ion battery technology.

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Code

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

1 code implementation • 18 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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Code

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