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, enhanced sampling, QM/MM) Experience improving performance and scalability of simulation workflows via: Parallelization and performance engineering GPU/accelerator optimization Algorithmic innovation
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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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researchers Grant writing experience Experience with high performance computing (HPC) and deep learning frameworks like PyTorch Experience developing parallel algorithms and scalable workflows for HPC resources
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workloads. Conduct research on language front‑end abstractions, mixed‑precision modeling, heterogeneous parallelism, and MLIR-level transformations. HPC System Co‑Design: Work with domain scientists and
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computing software libraries (e.g., Trilinos, MFEM, PETSc, MOOSE). Experience with shared and distributed memory parallel programming models such as OpenMP and MPI. Experience with one more GPU or performance
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. Formulating necessary solutions using various parallel computing paradigms and tools, HPC schedulers (such as slurm), Containers and Kubernetes, Python, Bash and other scripting/programming languages in
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in multiphysics modeling Experience in parallel programming on large-scale computational clusters Expertise in Matlab programming Active TS/SCI Clearance is preferred Special Requirement: This position
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environments. Experience with parallel computing environments, HPC in a Linux environment. Experience with surrogate modeling. Experience with data analytics techniques. Familiarity with C++ and GPU programming
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). Experience with shared and distributed memory parallel programming models such as OpenMP and MPI. Experience with one more GPU or performance portability programming language (e.g., CUDA, HIP, Kokkos, SYCL
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, and parallel computing, with a proven ability to work within highly secure and regulated environments. This role involves close collaboration with security teams, scientists, and IT leadership to ensure