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Issue Date
Title
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Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
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12-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/900 43
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/700 38
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
13-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/700 27
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
13-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/700 36
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
13-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/700 37
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
13-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/700 39
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
13-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/700 41
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
13-Sep-2023
/NNP_application/annealing_convergence_test/annealing_temperature/700 42
Lian, Zan
LAMMPS; 29 Sep 2021 - Update 3
Molecular Dynamics
-
-
-
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Lian, Zan
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73
Ab-Initio Molecular Dynamics
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DFT
