Search Results for author: Arthur France-Lanord

Found 4 papers, 3 papers with code

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.

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

2 code implementations2 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.

Data-driven path collective variables

no code implementations21 Dec 2023 Arthur France-Lanord, Hadrien Vroylandt, Mathieu Salanne, Benjamin Rotenberg, A. Marco Saitta, Fabio Pietrucci

Identifying optimal collective variables to model transformations, using atomic-scale simulations, is a long-standing challenge.

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