1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 10Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/800 7Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/700 8Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1100 10Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/700 1Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/annealing_convergence_test/annealing_rate/38 4nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/annealing_convergence_test/annealing_rate/33 8nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/annealing_convergence_test/annealing_rate/33 4nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/annealing_convergence_test/annealing_rate/33 2nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg12-Sep-2023/NNP_application/annealing_convergence_test/annealing_temperature/900 47Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
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