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Jupyter notebook and input files for the simulations

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posted on 2024-11-26, 13:00 authored by Fredrik Grote, Marzieh Saeedimasine, Alexander Lyubartsev
Jupyter notebook and input files for the simulations

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    DOI - Is supplement to Polarizable Force Field for TiO<sub>2</sub> Based on the Drude Oscillator Model

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    TiO2force fieldsurface propertiesmolecular dynamics

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