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@vilab-tartu

vilab

Vladislav Ivanistsev's lab
  • XPS

    Theoretical XPS plotting

    Python 2 0 0 0 Updated Dec 3, 2019
  • potentialFromDDEC

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

    Python 0 0 0 0 Updated Nov 17, 2019
  • MP-FFs

    Force fields of biofriendly IL ions

    Python 1 0 0 0 Updated Oct 12, 2019
  • QuantumCapacitance

    Scripts for accounting for quantum capacitance in MD simulations analysis

    1 0 0 0 Updated Aug 12, 2019
  • Shell GPL-2.0 3 2 0 0 Updated Dec 7, 2018
  • LOKT.02.048

    DFT calculations and MD simulations in (electro)chemistry

    Jupyter Notebook GPL-3.0 2 0 2 0 Updated Oct 27, 2018
  • Jupyter Notebook GPL-3.0 1 0 0 0 Updated Mar 27, 2018
  • SCAN

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

    Jupyter Notebook 1 0 0 0 Updated Apr 5, 2017

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