Community Accessible Datastore of High-Throughput Calculations: Experiences from the Materials Project. - Dan Gunter; Shreyas Cholia; Anubhav Jain 001; Michael Kocher; Kristin A. Persson; Lavanya Ramakrishnan; Shyue Ping Ong; Gerbrand Ceder (SC Companion, 2012)

FireWorks: a dynamic workflow system designed for high-throughput applications. - Anubhav Jain 001; Shyue Ping Ong; Wei Chen 043; Bharat Medasani; Xiaohui Qu; Michael Kocher; Miriam Brafman; Guido Petretto; Gian-Marco Rignanese; Geoffroy Hautier; Daniel K. Gunter; Kristin A. Persson (Concurr. Comput. Pract. Exp., 2015)

Random Forest Models for Accurate Identification of Coordination Environments from X-Ray Absorption Near-Edge Structure. - Chen Zheng; Chi Chen; Yiming Chen; Shyue Ping Ong (Patterns, 2020)

Learning properties of ordered and disordered materials from multi-fidelity data. - Chi Chen; Yunxing Zuo; Weike Ye; Xiangguo Li; Shyue Ping Ong (Nat. Comput. Sci., 2021)

All-Electric Nonassociative Learning in Nickel Oxide. - Sandip Mondal; Zhen Zhang 069; A. N. M. Nafiul Islam; Robert Andrawis; Sampath Gamage; Neda Alsadat Aghamiri; Qi Wang; Hua Zhou; Fanny Rodolakis; Richard Tran; Jasleen Kaur; Chi Chen; et al. (Adv. Intell. Syst., 2022)

Quantum materials for energy-efficient neuromorphic computing. - Axel Hoffmann; Shriram Ramanathan; Julie Grollier; Andrew D. Kent; Marcelo Rozenberg; Ivan K. Schuller; Oleg Shpyrko; Robert Dynes; Yeshaiahu Fainman; Alex Frano; Eric E. Fullerton; Giulia Galli; et al. (CoRR, 2022)

A universal graph deep learning interatomic potential for the periodic table. - Chi Chen; Shyue Ping Ong (Nat. Comput. Sci., 2022)

Recent advances and outstanding challenges for machine learning interatomic potentials. - Tsz Wai Ko; Shyue Ping Ong (Nat. Comput. Sci., 2023)

A practical guide to machine learning interatomic potentials - Status and future. - Ryan Jacobs; Dane Morgan; Siamak Attarian; Jun Meng; Chen Shen; Zhenghao Wu; Clare Yijia Xie; Julia H. Yang; Nongnuch Artrith; Ben Blaiszik; Gerbrand Ceder; Kamal Choudhary; et al. (CoRR, 2025)