Bayesim: A tool for adaptive grid model fitting with Bayesian inference. - Rachel C. Kurchin; Giuseppe Romano; Tonio Buonassisi (Comput. Phys. Commun., 2019)

ACED: Accelerated Computational Electrochemical systems Discovery. - Rachel C. Kurchin; Eric Muckley; Lance Kavalsky; Vinay I. Hegde; Dhairya Gandhi; Xiaoyu Sun; Matthew Johnson; Alan Edelman; James E. Saal; Christopher Vincent Rackauckas; Bryce Meredig; Viral B. Shah; et al. (CoRR, 2020)

Score-Based Generative Models for Molecule Generation. - Dwaraknath Gnaneshwar; Bharath Ramsundar; Dhairya Gandhi; Rachel C. Kurchin; Venkatasubramanian Viswanathan (CoRR, 2022)

Chemellia: An Ecosystem for Atomistic Scientific Machine Learning. - Anant Thazhemadam; Dhairya Gandhi; Venkatasubramanian Viswanathan; Rachel C. Kurchin (CoRR, 2023)

Generalization of graph-based active learning relaxation strategies across materials. - Xiaoxiao Wang; Joseph Musielewicz; Richard Tran; Sudheesh Kumar Ethirajan; Xiaoyan Fu; Hilda Mera; John R. Kitchin; Rachel C. Kurchin; Zachary W. Ulissi (Mach. Learn. Sci. Technol., 2024)

The Journal of Open Source Software (JOSS) - Bringing open-source software practices to the scholarly publishing community for authors, reviewers, editors, and publishers. - Patrick Diehl; Charlotte Soneson; Rachel C. Kurchin; Ross Mounce; Daniel S. Katz (Zenodo, 2024)

The Journal of Open Source Software (JOSS) - Bringing open-source software practices to the scholarly publishing community for authors, reviewers, editors, and publishers. - Patrick Diehl; Charlotte Soneson; Rachel C. Kurchin; Ross Mounce; Daniel S. Katz (Zenodo, 2024)