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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.
8-Sep-2023
/NNP_application/annealing_convergence_test/annealing_rate/28 4ns
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
12-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/900 30
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
12-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/900 29
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
12-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/900 28
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
13-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/900 00
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
13-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/700 47
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
13-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/700 48
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
14-Sep-2023
/NNP_application/annealing_convergence_test/annealing_rate/28 0_5ns
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
14-Sep-2023
/NNP_application/annealing_convergence_test/annealing_rate/28 16ns
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
14-Sep-2023
/NNP_application/annealing_convergence_test/annealing_rate/28 20ns
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
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6322
Lian, Zan
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LAMMPS
878
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Molecular Dynamics
805
Geometry optimization
73
Ab-Initio Molecular Dynamics
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878
DFT
