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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 700K_bcc_111 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -7.53744567; eV | ||||
| 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 500K_hcp1_444 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -960.82457062; eV | ||||
| 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 500K_hcp1_333 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -405.41774789; eV | ||||
| 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 500K_hcp1_222 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -119.69310726; eV | ||||
| 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 500K_hcp1_111 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -15.08518621; eV | ||||
| 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 300K_bcc_333 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -202.97909048; eV | ||||
| 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 300K_bcc_444 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -480.86665723; eV | ||||
| 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 300K_bcc_222 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -59.89507078; eV | ||||
| 22-Mar-2023 | /NNP_application/Odes 636 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | ||||
| 22-Mar-2023 | /NNP_application/Odes 637 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - |
Results 2501-2510 of 6322 (Search time: 0.002 seconds).
Discover
Calculation type
Method
- 878 DFT