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jobflow
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Autonomous active-learning pipeline (MACE + jobflow) that trains an MLIP to DFT-level accuracy, automates CI-NEB calculations and extracts Brønsted–Evans–Polanyi scaling relations for H₂ dissociation on N-doped graphene-supported Pd single-atom catalysts.
python mongodb dft sqlite computational-chemistry graphene materials-science mace active-learning ase heterogeneous-catalysis jobflow machine-learning-potentials single-atom-catalysis
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Oct 5, 2026 - Python
JobFlowAutomation is a C# Selenium-based workflow automation system for job platforms. It extracts structured job listings, navigates job detail pages, and supports automated application flows including CV upload and submission.
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Oct 18, 2026 - C#
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