Ha-Kyung Kwon

Deep neural networks to accelerate and reproduce DFT

Santosh K. Suram, Muratahan Aykol, Jens S. Hummelsho̸j, 2019 .

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

J. Grossman, Y. Shao-horn, A. France-Lanord, 2022, ArXiv.

Toward autonomous materials research: Recent progress and future challenges

Patrick K. Herring, Steven B. Torrisi, Joseph H. Montoya, 2022, Applied Physics Reviews.

What is missing in autonomous discovery: open challenges for the community

Sterling G. Baird, Keith A. Brown, Ian T. Foster, 2023, Digital Discovery.

The Materials Research Platform: Defining the Requirements from User Stories

Jay F. Whitacre, Olga Wodo, Laurie A. King, 2019, Matter.

BEEP: A Python library for Battery Evaluation and Early Prediction

Richard D. Braatz, Muratahan Aykol, Abraham Anapolsky, 2020, SoftwareX.

Early Prediction of Ion Transport Properties in Solid Polymer Electrolytes Using Machine Learning and System Behavior-Based Descriptors of Molecular Dynamics Simulations

Steven B. Torrisi, B. Storey, A. Khajeh, 2023, Macromolecules.

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

Y. Shao-horn, A. France-Lanord, A. Khajeh, 2023, APL Machine Learning.