Unlocking Electrocatalytic Dynamics with Anti-MXene Borides Monolayers for Nitrate Reduction Publications Applied Surface Science
Predicting Magnetic Properties of van der Waals Magnets Using Graph Neural Networks Publications Physical Review Materials
Exploring Bonding Configurations in MnBi2Te4-Type Materials Publications ACS Applied Materials and Interfaces
Clacc: OpenACC for C/C++ in Clang Publications The International Journal of High Performance Computing Applications
Enhanced Sampling of Protein Conformational Changes via True Reaction Coordinates from Energy Relaxation Publications Nature Communications
MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization Publications SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis
Multi-Cycle Direct Numerical Simulations of a Laboratory Scale Engine: Evolution of Boundary Layers and Wall Heat Flux Publications Flow, Turbulence and Combustion
Asynchronicity in Opposed-Piston RMCs: Does It Matter? Publications Proceedings of the Combustion Institute
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections Publications The Journal of Physical Chemistry A
Accelerating Discoveries at DIII-D with the Integrated Research Infrastructure Publications Frontiers in Physics