Scalable Lead Prediction with Transformers using HPC Resources Publications SC-W '23: Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis
Standardizing Complex Numbers in SYCL Publications IWOCL '23: Proceedings of the 2023 International Workshop on OpenCL
Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP Directives Publications Journal of Chemical Theory and Computation
A Multi-Architecture Approach for Implicit Computational Fluid Dynamics on Unstructured Grids Publications AIAA SCITECH 2023 Forum
Optimization of Ported CFD Kernels on Intel Data Center GPU Max 1550 using oneAPI ESIMD Publications SC-W '23: Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis
Induction and Ferroelectric Switching of Flux Closure Domains in Strained PbTiO3 with Neural Network Quantum Molecular Dynamics Publications Nano Letters
Large-Scale Molecular Dynamics Simulations of Bubble Collapse in Water: Effects of System Size, Water Model, and Nitrogen Publications The Journal of Chemical Physics
The Future of Supercells in the United States Publications Bulletin of the American Meteorological Society
Empowering Scientific Discovery through Computing at the Advanced Photon Source Publications SC-W '23: Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis