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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 45
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
12-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/900 46
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
12-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/900 47
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
12-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/900 44
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
12-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/900 48
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 46
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
-
-
-
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Author
6322
Lian, Zan
Program name
5444
LAMMPS
878
vasp
Calculation type
5444
Molecular Dynamics
805
Geometry optimization
73
Ab-Initio Molecular Dynamics
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878
DFT
