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property optimization » process optimization (Expand Search), policy optimization (Expand Search), robust optimization (Expand Search)
dose optimization » based optimization (Expand Search), model optimization (Expand Search), wolf optimization (Expand Search)
binary based » library based (Expand Search), linac based (Expand Search), binary mask (Expand Search)
binary data » primary data (Expand Search), dietary data (Expand Search)
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Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
Published 2025Subjects: -
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Data_Sheet_1_A Global Optimizer for Nanoclusters.PDF
Published 2019“…This method is implemented in PyAR (https://github.com/anooplab/pyar) program. The global optimization in PyAR involves two parts, generation of several trial geometries and gradient-based local optimization of the trial geometries. …”
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Machine Learning-Ready Dataset for Cytotoxicity Prediction of Metal Oxide Nanoparticles
Published 2025“…Details on the data sourcing process, prompt engineering strategies for large language model (LLM)-based extraction, and validation protocols are provided in the Supplementary Information section.…”
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Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction
Published 2020“…We emphasize that the proposed AL algorithm can be easily generalized to search for any binary metal oxide structure with a defined stoichiometry.…”