Jenna A. Bilbrey

14 papers A 1Journal 13

Year	Rank	Type	Title / Venue / Authors
2025	A	`conf`	Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE. HPDC Jesun Sahariar Firoz, Franco Pellegrini, Mario Geiger, Darren Hsu, Jenna A. Bilbrey, Han-Yi Chou, Maximilian Stadler, Markus Höhnerbach, Tingyu Wang, Dejun Lin, Emine Küçükbenli, Henry W. Sprueill, Ilyes Batatia, Sotiris S. Xantheas, MalSoon Lee, Christopher J. Mundy, Gábor Csányi, Justin S. Smith, Ponnuswamy Sadayappan, Sutanay Choudhury
2025	J	`jnl`	Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE. CoRR Jesun Firoz, Franco Pellegrini, Mario Geiger, Darren Hsu, Jenna A. Bilbrey, Han-Yi Chou, Maximilian Stadler, Markus Hoehnerbach, Tingyu Wang, Dejun Lin, Emine Küçükbenli, Henry W. Sprueill, Ilyes Batatia, Sotiris S. Xantheas, MalSoon Lee, Chris Mundy, Gábor Csányi, Justin S. Smith, Ponnuswamy Sadayappan, Sutanay Choudhury
2024	J	`jnl`	Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units. J. Chem. Inf. Model. Hatem Helal, Jesun Firoz, Jenna A. Bilbrey, Henry Sprueill, Kristina M. Herman, Mario Michael Krell, Tom Murray, Manuel Lopez Roldan, Mike Kraus, Ang Li, Payel Das, Sotiris S. Xantheas, Sutanay Choudhury
2024	J	`jnl`	Revealing the Evolution of Order in Materials Microstructures Using Multi-Modal Computer Vision. CoRR Arman H. Ter-Petrosyan, Michael Holden, Jenna A. Bilbrey, Sarah Akers, Christina Doty, Kayla H. Yano, Le Wang, Rajendra Paudel, Eric Lang, Khalid Hattar, Ryan B. Comes, Yingge Du, Bethany E. Matthews, Steven R. Spurgeon
2023	J	`jnl`	Unsupervised segmentation of irradiation-induced order-disorder phase transitions in electron microscopy. CoRR Arman H. Ter-Petrosyan, Jenna A. Bilbrey, Christina M. Doty, Bethany E. Matthews, Le Wang, Yingge Du, Eric Lang, Khalid Hattar, Steven R. Spurgeon
2022	J	`jnl`	Extreme Acceleration of Graph Neural Network-based Prediction Models for Quantum Chemistry. CoRR Hatem Helal, Jesun Firoz, Jenna A. Bilbrey, Mario Michael Krell, Tom Murray, Ang Li, Sotiris S. Xantheas, Sutanay Choudhury
2022	J	`jnl`	Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators. CoRR Jenna A. Bilbrey, Kristina M. Herman, Henry Sprueill, Sotiris S. Xantheas, Payel Das, Manuel Lopez Roldan, Mike Kraus, Hatem Helal, Sutanay Choudhury
2021	J	`jnl`	Benchmarking Deep Graph Generative Models for Optimizing New Drug Molecules for COVID-19. CoRR Logan T. Ward, Jenna A. Bilbrey, Sutanay Choudhury, Neeraj Kumar, Ganesh Sivaraman
2021	J	`jnl`	Co-design Center for Exascale Machine Learning Technologies (ExaLearn). Int. J. High Perform. Comput. Appl. Francis J. Alexander, James Ang, Jenna A. Bilbrey, Jan Balewski, Tiernan Casey, Ryan Chard, Jong Choi, Sutanay Choudhury, Bert J. Debusschere, Anthony M. DeGennaro, Nikoli Dryden, J. Austin Ellis, Ian T. Foster, Cristina Garcia-Cardona, Sayan Ghosh, Peter Harrington, Yunzhi Huang, Shantenu Jha, Travis Johnston, Ai Kagawa, Ramakrishnan Kannan, Neeraj Kumar, Zhengchun Liu, Naoya Maruyama, Satoshi Matsuoka, Erin McCarthy, Jamaludin Mohd-Yusof, Peter Nugent, Yosuke Oyama, Thomas Proffen, David Pugmire, Sivasankaran Rajamanickam, Vinay Ramakrishnaiah, Malachi Schram, Sudip K. Seal, Ganesh Sivaraman, Christine Sweeney, Li Tan, Rajeev Thakur, Brian Van Essen, Logan T. Ward, Paul M. Welch, Michael Wolf, Sotiris S. Xantheas, Kevin G. Yager, Shinjae Yoo, Byung-Jun Yoon
2021	J	`jnl`	Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks. CoRR Carter Knutson, Mridula Bontha, Jenna A. Bilbrey, Neeraj Kumar
2021	J	`jnl`	Evening the Score: Targeting SARS-CoV-2 Protease Inhibition in Graph Generative Models for Therapeutic Candidates. CoRR Jenna A. Bilbrey, Logan T. Ward, Sutanay Choudhury, Neeraj Kumar, Ganesh Sivaraman
2021	J	`jnl`	Geometric learning of the conformational dynamics of molecules using dynamic graph neural networks. CoRR Michael Hunter Ashby, Jenna A. Bilbrey
2020	J	`jnl`	HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data. CoRR Sutanay Choudhury, Jenna A. Bilbrey, Logan T. Ward, Sotiris S. Xantheas, Ian T. Foster, Joseph P. Heindel, Ben Blaiszik, Marcus E. Schwarting
2013	J	`jnl`	Exact ligand cone angles. J. Comput. Chem. Jenna A. Bilbrey, Arianna H. Kazez, Jason Locklin, Wesley D. Allen