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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Jan-2026 | /MDs/7.5nm/Odoping/shell sphere | Ibáñez-Alé, Enric | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 20-Jan-2026 | /MDs/7.5nm/Odoping/bulk sphere | Ibáñez-Alé, Enric | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 20-Jan-2026 | /MDs/7.5nm/Odoping/bulk cubic | Ibáñez-Alé, Enric | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 20-Jan-2026 | /MDs/7.5nm/Odoping/shell wuff | Ibáñez-Alé, Enric | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 19-Jan-2026 | /MDs/5nm/vacancy/bulk0.05 sphere | Ibáñez-Alé, Enric | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 19-Jan-2026 | /MDs/5nm/vacancy/bulk0.05 cubic | Ibáñez-Alé, Enric | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 19-Jan-2026 | /MDs/5nm/Odoping/shell sphere | Ibáñez-Alé, Enric | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 19-Jan-2026 | /MDs/5nm/vacancy/bulk0.05 wuff | Ibáñez-Alé, Enric | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 20-Jan-2026 | /MDs/34nm_in_download sphere | Ibáñez-Alé, Enric | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 16-Jan-2026 | /FG_dataset/group2/au/111 au-4a01-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -224.86267525; eV |
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- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
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