1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Nov-2023/NNP_application/Odiffusion/Cu_shell/remove_different_layers/8layers 1Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_rate/18 0_01nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_rate/13 0_5nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_rate/08 0_5nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_rate/13 0_1nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_rate/13 0_01nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_rate/13 8nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_rate/13 4nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_rate/13 2nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_rate/13 1nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
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