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Argonne Leadership Computing Facility

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Controlling the nucleation and growth of ultrasmall metal nanoclusters with MoS2 grain boundaries

Publications Nanoscale

Enabling particle applications for exascale computing platforms

Publications International Journal of High Performance Computing Applications

Writing, Running, and Analyzing Large-scale Scientific Simulations with Jupyter Notebooks

Publications 2021 IEEE 11th Symposium on Large Data Analysis and Visualization (LDAV)

Challenges in Monte Carlo Event Generator Software for High-Luminosity LHC

Publications Computing and Software for Big Science

Active Site Fluxional Restructuring as a New Paradigm in Triggering Reaction Activity for Nanocluster Catalysis

Publications Accounts of Chemical Research

GRChombo: An adaptable numerical relativity code for fundamental physics

Publications Journal of Open Source Software

Optimizing the Catalytic Activity of Pd-Based Multinary Alloys toward Oxygen Reduction Reaction

Publications The Journal of Physical Chemistry Letters

ALS Share, a Lightweight Data Sharing Service for a Synchrotron Radiation Facility

Publications 2021 3rd Annual Workshop on Extreme-scale Experiment-in-the-Loop Computing (XLOOP)

Case Study of Using Kokkos and SYCL as Performance-Portable Frameworks for Milc-Dslash Benchmark on NVIDIA, AMD and Intel GPUs

Publications 2021 International Workshop on Performance, Portability and Productivity in HPC (P3HPC)

Importance of Diagonal Gates in Tensor Network Simulations

Publications 2021 IEEE Computer Society Annual Symposium on VLSI

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