VASP
Vienna Ab Initio Simulation Package (https://www.vasp.at/)
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Ab Initio Modeling of Iron in Molecular, Surface and Bulk Environments
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Interatomic Potentials for Amorphous Solids From Second Principles
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Ab-initio Modeling of Battery Materials
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Ab-Initio Thermodynamics of Refractory Mo-Si-Ti Phases at High Temperatures
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Elucidating the CO2 Activation in the Context of the Reverse Water Gas Shift Reaction
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First-Principles Calculations of Spectroscopic Signatures
Ideal one-dimensional (1D) electronic systems are fascinating, as they show quantisation of conductance, charge-density ...
NaturwissenschaftenPhysik der kondensierten Materie
