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/dot07/random8 04Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/1500 09Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 39Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 41Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 42Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/1500 10Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/1500 11Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 43Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 40Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg6-Sep-2023/NNP_application/reduction_10samplings/dot034/random4 40Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
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