1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Sep-2023/NNP_application/reduction_10samplings/dot046/random8 48Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/800 9Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 2Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/800 1Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1100 2Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/700 2Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/800 8Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/700 10Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/700 9Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Sep-2023/NNP_application/annealing_convergence_test/annealing_rate/38 8nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
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