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Barcelona Supercomputing Center
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NNP_Cu_O
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Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/1500 26
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
8-Nov-2023
/NNP_application/Odiffusion/Cu_shell/NEB/3oxygen step2
Lian, Zan
LAMMPS; 29 Sep 2021
Molecular Dynamics
-
-
-
21-Mar-2023
/NNP_application/reduction/SSA/0_146 09
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/500 15
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/500 28
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/500 08
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/500 21
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_temperature/500 01
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
8-Nov-2023
/NNP_application/Odiffusion/Cu_shell/remove_different_layers/8layers 5
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
7-Nov-2023
/NNP_application/annealing_convergence_test/annealing_rate/03 10ns
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
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Lian, Zan
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DFT