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mieand's Projects

catmap icon catmap

Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

coelectrocatmapfiles icon coelectrocatmapfiles

CATMAP input files and VASP structure files for Nature Catalysis CO electrooxidation manuscript

intro2kmos icon intro2kmos

Material for the Introduction to kmos hands-on session

kmcos icon kmcos

Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.

kmos icon kmos

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

nanosilicate_cluster_data_sets icon nanosilicate_cluster_data_sets

Data sets for the paper "Descriptors for binding energies at clusters: The case of nanosilicates as models of interstellar dust grains"

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