H and CO Co-Induced Roughening of Cu Surface in CO2 Electroreduction Conditions Publications Journal of the American Chemical Society
Non-Conforming Schwarz-Spectral Element Method for Low Mach Number Reacting Flows Publications Proceedings of the Combustion Institute
PanDA: Production and Distributed Analysis System Publications Computing and Software for Big Science
Overcoming Inaccuracies in Machine Learning Interatomic Potential Implementation for Ionic Vacancy Simulations Publications Physical Insights into Chemistry, Catalysis, and Interfaces
PeaTMOSS: A Dataset and Initial Analysis of Pre-Trained Models in Open-Source Software Publications MSR '24: Proceedings of the 21st International Conference on Mining Software Repositories
Performance Portability of Electron Repulsion Integrals and Their Related Methods Across Peta to Exascale Architectures Publications SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis
Performance Portable Monte Carlo Particle Transport on Intel, NVIDIA, and AMD GPUs Publications Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo (SNA + MC 2024)
Opportunities for Retrieval and Tool Augmented Large Language Models in Scientific Facilities Publications npj Computational Materials
