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Popular repositories

  1. KMC_WGSR_Au_MoC KMC_WGSR_Au_MoC Public

    This repository contains the Zacros input files used in my research work entitled "Kinetic Monte Carlo simulations unveil synergic effects at work on bifunctional catalysts", available at https://p…

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    kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier

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  4. VaspIOTools VaspIOTools Public

    This project is a collective of tools for the preparation of input files and post processing of output files from VASP.

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  5. Transition-metal-atoms-encapsulated-on-Silicalite-1 Transition-metal-atoms-encapsulated-on-Silicalite-1 Public

    This repository contains the optimised structures (VASP CONTCAR files) for the full set of 3d, 4d, and 5d transition metal atoms encapsulated on MFI-type Silicalite-1 zeolite, used in my research w…

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