SHP-1 Variants Broaden the Understanding of pH-Dependent Activities in Protein Tyrosine Phosphatases Publications JACS Au
Conformational Modulation of a Mobile Loop Controls Catalysis in the (βα)8-Barrel Enzyme of Histidine Biosynthesis HisF Publications JACS Au
Stability of Trivalent and Hexavalent Chromium Oxide Layers on Aluminum Substrates from Electronic Structure Calculations Publications Physical Review Materials
Large Language Models for Anomaly Detection in Computational Workflows: From Supervised Fine-Tuning to In-Context Learning Publications SC24: International Conference for High Performance Computing, Networking, Storage and Analysis
The Picasso Gas Model: Painting Intracluster Gas on Gravity-Only Simulations Publications The Open Journal of Astrophysics
Quantum Monte Carlo Calculations of Electron Scattering from 12C in the Short-Time Approximation Publications Physical Review C
Experiences with Implementing Kokkos' Backend Publications IWOCL '24: Proceedings of the 12th International Workshop on OpenCL and SYCL
Scalable and Consistent Graph Neural Networks for Distributed Mesh-Based Data-Driven Modeling Publications SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis
A Streamline Coordinate Analysis of a Turbulent Boundary Layer Subject to Pressure Gradients and Curvature on the Windward Side of a Bump Publications Journal of Fluid Mechanics
