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scalability of simulation workflows via: Parallelization and performance engineering GPU/accelerator optimization Algorithmic innovation Experience applying machine learning or AI to molecular simulation
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properties as well as test and develop novel high performance computing methods for first principles materials calculations. The successful candidate will be mentored and teamed with staff in the National
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optimization, and application-driven performance analysis for HPC, scientific Artificial Intelligence (AI), and scientific edge computing. We are a leader in computational and computer science, with signature
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