Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification. - Samuel Temple Reeve; Alejandro Strachan (J. Comput. Phys., 2017)

Adaptive Spatially Aware I/O for Multiresolution Particle Data Layouts. - Will Usher 001; Xuan Huang; Steve Petruzza; Sidharth Kumar; Stuart R. Slattery; Samuel Temple Reeve; Feng Wang 013; Chris R. Johnson 001; Valerio Pascucci (IPDPS, 2021)

Fast and Accurate Predictions of Total Energy for Solid Solution Alloys with Graph Convolutional Neural Networks. - Massimiliano Lupo Pasini; Marko Burcul; Samuel Temple Reeve; Markus Eisenbach 002; Simona Perotto (SMC, 2021)

Enabling particle applications for exascale computing platforms. - Susan M. Mniszewski; James F. Belak; Jean-Luc Fattebert; Christian F. A. Negre; Stuart R. Slattery; Adetokunbo A. Adedoyin; Robert F. Bird; Choong-Seock Chang; Guangye Chen; Stéphane Ethier; Shane Fogerty; Salman Habib 002; et al. (Int. J. High Perform. Comput. Appl., 2021)

Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models. - Andrew E. Blanchard; Pei Zhang; Debsindhu Bhowmik; Kshitij Mehta; John Gounley; Samuel Temple Reeve; Stephan Irle; Massimiliano Lupo Pasini (SMC, 2022)

Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems. - Massimiliano Lupo Pasini; Pei Zhang; Samuel Temple Reeve; Jong Youl Choi (CoRR, 2022)

Implementing a neural network interatomic model with performance portability for emerging exascale architectures. - Saaketh Desai; Samuel Temple Reeve; James F. Belak (Comput. Phys. Commun., 2022)

ExaAM: Metal additive manufacturing simulation at the fidelity of the microstructure. - John A. Turner; James F. Belak; Nathan Barton; Matthew T. Bement; Neil N. Carlson; Robert Carson; Stephen Dewitt; Jean-Luc Fattebert; Neil Eugene Hodge; Zechariah Jibben; Wayne E. King; Lyle Levine; et al. (Int. J. High Perform. Comput. Appl., 2022)

Cabana: A Performance Portable Library for Particle-Based Simulations. - Stuart R. Slattery; Samuel Temple Reeve; Christoph Junghans; Damien Lebrun-Grandié; Robert F. Bird; Guangye Chen; Shane Fogerty; Yuxing Qiu; Stephan Schulz 006; Aaron Scheinberg; Austin Isner; Kwitae Chong; et al. (J. Open Source Softw., 2022)

Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems *. - Massimiliano Lupo Pasini; Pei Zhang; Samuel Temple Reeve; Jong Youl Choi (Mach. Learn. Sci. Technol., 2022)

A Sparse Distributed Gigascale Resolution Material Point Method. - Yuxing Qiu; Samuel Temple Reeve; Minchen Li; Yin Yang 002; Stuart R. Slattery; Chenfanfu Jiang (ACM Trans. Graph., 2023)

Co-design for Particle Applications at Exascale. - Samuel Temple Reeve; Jean-Luc Fattebert; Stephen Dewitt; Pablo Seleson; David Joy; Stuart R. Slattery; Aaron Scheinberg; Rene Halver; Christoph Junghans; Christian F. A. Negre; Michael E. Wall; Yu Zhang 010; et al. (Comput. Sci. Eng., 2024)

AdditiveFOAM: A Continuum Multiphysics Code for Additive Manufacturing. - John Coleman; Kellis Kincaid; Gerry L. Knapp; Benjamin Stump; Samuel Temple Reeve; Matthew Rolchigo; Alex Plotkowski (J. Open Source Softw., 2025)