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& advance digital twins: Integrate electronic structure (e.g., DFT, ab initio MD, tight-binding) with multiscale simulations to predict experimental observables at interfaces. Bridge theory & experiment: Co
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for distributed AI training, agentic AI with modeling and simulation, and end-to-end workflow monitoring, profiling, and optimization. Working with quantum simulation tools, including NVIDIA CUDA-Q, to enable
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scientists to integrate state-of-the-art AI with simulation and data analysis, including modern agentic approaches. Publish and present results in peer-reviewed venues. Examples of NESAP project themes
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simulations on superconducting processors for physics, chemistry, and computer science. Firmware development & programming tools to interface with FPGA-based electronics. Quantum verification and validation
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to computational modeling, simulations, and advanced data analytics for scientific discovery in materials science, biology, astronomy, environmental science, energy, particle physics, genomics, and other scientific