Christian S Ahart
3PUBLICATIONS
3CO-AUTHORS
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Publications (3)
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|Jul 16, 2024
Enabling Ab Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green Functions.Christian S Ahart, Sergey K Chulkov, Clotilde S Cucinotta
|Jun 14, 2022
Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package.Christian S Ahart, Kevin M Rosso, Jochen Blumberger
|Mar 03, 2022
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory.Christian S Ahart, Kevin M Rosso, Jochen Blumberger
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