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Q: Software for modelling electronic properties (adsorption and thermoelectricity)?

PBHWe are from a new research group working on matter modelling. Currently our work has focused mainly on classical Molecular Dynamics (MD), Lattice Dynamics (LD) and ab-initio methods. For these, we have been using LAMMPS, Gulp, SIESTA, Quantum Espresso and CP2K. Although we are currently studying...

 

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