A cloud platform for sharing and automated analysis of raw data from high throughput polymer MD simulations

Open material databases storing thousands of material structures and their properties have become the cornerstone of modern computational materials science. Yet, the raw simulation outputs are generally not shared due to their huge size. In this work, we describe a cloud-based platform to enable fas...

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Bibliographic Details
Main Authors: Xie, Tian, Kwon, Ha-Kyung, Schweigert, Daniel, Gong, Sheng, France-Lanord, Arthur, Khajeh, Arash, Crabb, Emily, Puzon, Michael, Fajardo, Chris, Powelson, Will, Shao-Horn, Yang, Grossman, Jeffrey C.
Format: Article
Language:English
Published: AIP Publishing 2024
Online Access:https://hdl.handle.net/1721.1/154280