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
POSTER: Optimizing Collective Communications with Error-Bounded Lossy Compression for GPU Clusters Publications PPoPP '24: Proceedings of the 29th ACM SIGPLAN Annual Symposium on Principles and Practice of Parallel Programming
OpenMP Offload Toward the Exascale Using Intel® GPU Max 1550: Evaluation of STREAmS Compressible Solver Publications The Journal of Supercomputing
Protein Structure Inspired Discovery of a Novel Inducer of Anoikis in Human Melanoma Publications Cancers
Numerical Eigen-Spectrum Slicing, Accurate Orthogonal Eigen-Basis, and Mixed-Precision Eigenvalue Refinement Using OpenMP Data-Dependent Tasks and Accelerator Offload Publications The International Journal of High Performance Computing Applications
