Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Mar-2023 | /NNP_application/Odes 988 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 21-Mar-2023 | /NNP_application/Odes 981 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 21-Mar-2023 | /NNP_application/Odes 974 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 21-Mar-2023 | /NNP_application/Odes 973 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 21-Mar-2023 | /NNP_application/Cu_liquid_soild_coexistence 6912_atoms | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 21-Mar-2023 | /NNP_application/Cu_liquid_soild_coexistence 3456_atoms | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 21-Mar-2023 | /NNP_application/Odes 986 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 21-Mar-2023 | /NNP_application/Odes 993 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 21-Mar-2023 | /ini_data_source/CuxO/adO/211 POSCAR_2_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -181.77117952; eV | |||
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/1500 41 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - |
Results 1461-1470 of 6322 (Search time: 0.002 seconds).
Discover
Calculation type
Method
- 878 DFT