Xiangyun Lei

According to our database, Xiangyun Lei authored at least 8 papers between 2016 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

GMP-Featurizer: A parallelized Python package for efficiently computing the Gaussian Multipole features of atomic systems.

Xiangyun Lei, Joseph Montoya

J. Open Source Softw., September, 2023

AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification.

Muhammed Shuaibi, Yuge Hu, Xiangyun Lei, Benjamin M. Comer, Matt Adams, Jacob Paras, Rui Qi Chen, Eric Musa, Joseph Musielewicz, Andrew A. Peterson, Andrew J. Medford, Zachary W. Ulissi

J. Open Source Softw., 2023

The Role of Reference Points in Machine-Learned Atomistic Simulation Models.

Xiangyun Lei, Weike Ye, Joseph Montoya, Tim Mueller, Linda Hung, Jens S. Hummelshoej

CoRR, 2023

Lessons in Reproducibility: Insights from NLP Studies in Materials Science.

Xiangyun Lei, Edward Kim, Viktoriia Baibakova, Shijing Sun

CoRR, 2023

2022

A Unified Framework for Data-Driven Atomistic Modeling.

Xiangyun Lei

PhD thesis, 2022

2021

A Universal Framework for Featurization of Atomistic Systems.

Xiangyun Lei, Andrew J. Medford

CoRR, 2021

2019

ElectroLens: Understanding Atomistic Simulations through Spatially-Resolved Visualization of High-Dimensional Features.

Xiangyun Lei, Fred Hohman, Duen Horng (Polo) Chau, Andrew J. Medford

Proceedings of the 30th IEEE Visualization Conference, 2019

2016

MOF: creating an educational game on nanotechnology through simulation-driven optimization.

Tiannan Chen, Xiangyun Lei, Hakan Demir, Christopher J. Cramer, Laura Gagliardi, Stephen J. Guy

Proceedings of the 9th International Conference on Motion in Games, 2016