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Christian S Ahart

Showing results (1-10 of 4) with videos related to

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Journal of the American Chemical Society|March 3, 2022
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional TheoryChristian S Ahart, Kevin M Rosso, Jochen Blumberger
Journal of Chemical Theory and Computation|June 14, 2022
Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K PackageChristian S Ahart, Kevin M Rosso, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP|February 25, 2020
Polaronic structure of excess electrons and holes for a series of bulk iron oxidesChristian S Ahart, Jochen Blumberger, Kevin M Rosso
Journal of Chemical Theory and Computation|July 16, 2024
Enabling Ab Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green FunctionsChristian S Ahart, Sergey K Chulkov, Clotilde S Cucinotta
Pageof 1

Showing results (1-10 of 4) with videos related to

Sort By:
Pageof 1
Journal of the American Chemical Society|March 3, 2022
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional TheoryChristian S Ahart, Kevin M Rosso, Jochen Blumberger
Journal of Chemical Theory and Computation|June 14, 2022
Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K PackageChristian S Ahart, Kevin M Rosso, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP|February 25, 2020
Polaronic structure of excess electrons and holes for a series of bulk iron oxidesChristian S Ahart, Jochen Blumberger, Kevin M Rosso
Journal of Chemical Theory and Computation|July 16, 2024
Enabling Ab Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green FunctionsChristian S Ahart, Sergey K Chulkov, Clotilde S Cucinotta
Pageof 1