Towards Online Steering of Flame Spray Pyrolysis Nanoparticle Synthesis. - Maksim Levental; Ryan Chard; Joseph A. Libera; Kyle Chard; Aarthi Koripelly; Jakob R. Elias; Marcus Schwarting; Ben Blaiszik; Marius Stan; Santanu Chaudhuri; Ian T. Foster (XLOOP@SC, 2020)

Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release. - Yadu N. Babuji; Ben Blaiszik; Tom Brettin; Kyle Chard; Ryan Chard; Austin Clyde; Ian T. Foster; Zhi Hong; Shantenu Jha; Zhuozhao Li; Xuefeng Liu; Arvind Ramanathan; et al. (CoRR, 2020)

HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data. - Sutanay Choudhury; Jenna A. Bilbrey; Logan T. Ward; Sotiris S. Xantheas; Ian T. Foster; Joseph P. Heindel; Ben Blaiszik; Marcus E. Schwarting (CoRR, 2020)

Research data infrastructure for high-throughput experimental materials science. - Kevin R. Talley; Robert R. White; Nick Wunder; Matthew Eash; Marcus Schwarting; Dave Evenson; John D. Perkins; William Tumas; Kristin Munch; Caleb Phillips; Andriy Zakutayev (Patterns, 2021)

3D Convolutional Neural Networks for Dendrite Segmentation Using Fine-Tuning and Hyperparameter Optimization. - Jim James; Nathan Pruyne; Tiberiu Stan; Marcus Schwarting; Jiwon Yeom; Seungbum Hong; Peter Voorhees; Ben Blaiszik; Ian T. Foster (CoRR, 2022)

MatPropXtractor: Generate to Extract. - Aswathy Ajith; Marcus Schwarting; Zhi Hong; Kyle Chard; Ian T. Foster (Tiny Papers @ ICLR, 2023)

The eBible Corpus: Data and Model Benchmarks for Bible Translation for Low-Resource Languages. - Vesa Akerman; David Baines; Damien Daspit; Ulf Hermjakob; Taeho Jang; Colin Leong; Michael Martin; Joel Mathew; Jonathan Robie; Marcus Schwarting (CoRR, 2023)

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon. - Kevin Maik Jablonka; Qianxiang Ai; Alexander Al-Feghali; Shruti Badhwar; Joshua D. Bocarsly; Andres M. Bran; Stefan Bringuier; L. Catherine Brinson; Kamal Choudhary; Defne Circi; Sam Cox; Wibe A. de Jong; et al. (CoRR, 2023)

Twins in rotational spectroscopy: Does a rotational spectrum uniquely identify a molecule? - Marcus Schwarting; Nathan A. Seifert; Michael J. Davis; Ben Blaiszik; Ian T. Foster; Kirill Prozument (CoRR, 2024)

Foundry-ML (latest). - K. J. Schmidt; Aristana Scourtas; Logan T. Ward; Steve Wangen; Marcus Schwarting; Isaac Darling; Ethan Truelove; Aadit Ambadkar; Ribhav Bose; Zoa Katok; Jingrui Wei; Xiangguo Li; et al. (Zenodo, 2024)

Foundry-ML - Software and Services to Simplify Access to Machine Learning Datasets in Materials Science. - K. J. Schmidt; Aristana Scourtas; Logan T. Ward; Steve Wangen; Marcus Schwarting; Isaac Darling; Ethan Truelove; Aadit Ambadkar; Ribhav Bose; Zoa Katok; Jingrui Wei; Xiangguo Li; et al. (Zenodo, 2024)

Foundry-ML - Software and Services to Simplify Access to Machine Learning Datasets in Materials Science. - K. J. Schmidt; Aristana Scourtas; Logan T. Ward; Steve Wangen; Marcus Schwarting; Isaac Darling; Ethan Truelove; Aadit Ambadkar; Ribhav Bose; Zoa Katok; Jingrui Wei; Xiangguo Li; et al. (Zenodo, 2024)

Foundry-ML - Software and Services to Simplify Access to Machine Learning Datasets in Materials Science. - K. J. Schmidt; Aristana Scourtas; Logan T. Ward; Steve Wangen; Marcus Schwarting; Isaac Darling; Ethan Truelove; Aadit Ambadkar; Ribhav Bose; Zoa Katok; Jingrui Wei; Xiangguo Li; et al. (Zenodo, 2024)

Foundry-ML - Software and Services to Simplify Access to Machine Learning Datasets in Materials Science. - K. J. Schmidt; Aristana Scourtas; Logan T. Ward; Steve Wangen; Marcus Schwarting; Isaac Darling; Ethan Truelove; Aadit Ambadkar; Ribhav Bose; Zoa Katok; Jingrui Wei; Xiangguo Li; et al. (J. Open Source Softw., 2024)

MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow. - Xiaoli Yan; Nathaniel Hudson; Hyun Park; Daniel Grzenda; J. Gregory Pauloski; Marcus Schwarting; Haochen Pan; Hassan Harb; Sam Foreman; Chris Knight 001; Tom Gibbs; Kyle Chard; et al. (CoRR, 2025)