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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 17-Jan-2025 | /nep/1e-9 run_22 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Geometry optimization | - | - | - | |||
![]() | 17-Jan-2025 | /nep/1e-8 run_1 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Molecular Dynamics | - | - | - | |||
![]() | 17-Jan-2025 | /nep/1e-6 run_1 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Molecular Dynamics | - | - | - | |||
![]() | 17-Jan-2025 | /nep/1e-5 run_1 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Molecular Dynamics | - | - | - | |||
![]() | 16-Jan-2025 | /reaxff/1e-5 run_1 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Molecular Dynamics | - | - | - | |||
![]() | 16-Jan-2025 | /reaxff/1e-6 run_1 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Molecular Dynamics | - | - | - | |||
![]() | 17-Jan-2025 | /nep/1e-7 run_90 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Molecular Dynamics | - | - | - | |||
![]() | 16-Jan-2025 | /eam/1e-5 run_1 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Molecular Dynamics | - | - | - | |||
![]() | 16-Jan-2025 | /eam/1e-6 run_1 | Bro-Jørgensen, William | LAMMPS; 28 Mar 2023 - Development | Molecular Dynamics | - | - | - |
Results 1-9 of 9 (Search time: 0.001 seconds).