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The last 5 uploaded publications
Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order
Sheng Yin, Yunxing Zuo, Anas Abu-Odeh, Hui Zheng, Xiangguo Li, Jun Ding, Shyue Ping Ong, Mark Asta, Robert O. Ritchie (2021). Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order. Nature Communications, 12(1), DOI: 10.1038/s41467-021-25134-0.
Article329 days agoAtomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order
Sheng Yin, Yunxing Zuo, Anas Abu-Odeh, Hui Zheng, Xiangguo Li, Jun Ding, Shyue Ping Ong, Mark Asta, Robert O. Ritchie (2021). Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order. Nature Communications, 12(1), DOI: 10.1038/s41467-021-25134-0.
Article290 days agoAccelerated data-driven materials science with the Materials Project
Matthew K. Horton, Patrick Huck, Ruoxi Yang, Jason M. Munro, Shyam Dwaraknath, Alex M. Ganose, Ryan Kingsbury, Mingjian Wen, Jianxin Shen, Tyler S. Mathis, Aaron D. Kaplan, Karlo Berket, Janosh Riebesell, Janine George, Andrew Rosen, Evan Walter Clark Spotte‐Smith, Matthew J. McDermott, Orion A. Cohen, Alexander Dunn, Matthew C. Kuner, Gian‐Marco Rignanese, Guido Petretto, David Waroquiers, Sinéad M. Griffin, Jeffrey B. Neaton, D. C. Chrzan, Mark Asta, Geoffroy Hautier, Shreyas Cholia, Gerbrand Ceder, Shyue Ping Ong, Anubhav Jain, Kristin A. Persson (2025). Accelerated data-driven materials science with the Materials Project. , 24(10), DOI: https://doi.org/10.1038/s41563-025-02272-0.
Article26 days agoA Foundational Potential Energy Surface Dataset for Materials
Aaron D. Kaplan, Runze Liu, Ji Qi, Tsz Wai Ko, Bowen Deng, Janosh Riebesell, Gerbrand Ceder, Kristin A. Persson, Shyue Ping Ong (2025). A Foundational Potential Energy Surface Dataset for Materials. , DOI: https://doi.org/10.48550/arxiv.2503.04070.
Preprint26 days agoMaterials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry
Tsz Wai Ko, Bowen Deng, Marcel Nassar, Luis Barroso-Luque, Runze Liu, Ji Qi, Atul C. Thakur, Amiya Kanta Mishra, Eric Hsien Lung Liu, Gerbrand Ceder, Santiago Miret, Shyue Ping Ong (2025). Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry. , 11(1), DOI: https://doi.org/10.1038/s41524-025-01742-y.
Article26 days ago