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@double-layer

double layer research hub

Double layer research hub

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  1. LOKT.02.048 LOKT.02.048 Public

    DFT calculations and MD simulations in (electro)chemistry

    Jupyter Notebook 4 4

  2. NaRIBaS NaRIBaS Public

    Shell 2 5

  3. SCAN SCAN Public

    The data for the article "Performance of SCAN density functional method for a set of ionic liquids".

    Jupyter Notebook 1 1

  4. MP-FFs MP-FFs Public

    Force fields of biofriendly IL ions

    Python 1 1

  5. potentialFromDDEC potentialFromDDEC Public

    A script that calculates the potential drop, dipole correction and creates figures from the DDEC6 surface charges

    Python 1 1

  6. MD-IL MD-IL Public

    Jupyter Notebook 1

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