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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
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ytopt: Autotuning Scientific Applications for Energy Efficiency at Large Scales Publications Concurrency and Computation: Practice and Experience
Visualization at Exascale: Making It All Work with VTK-m Publications The International Journal of High Performance Computing Applications
PGV 2024: Frontmatter Publications EGPGV24: Eurographics Symposium on Parallel Graphics and Visualization