1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Nov-2023/NNP_application/annealing_convergence_test/time_at_high_temperature/0_1ns 33Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg6-Nov-2023/NNP_application/annealing_convergence_test/time_at_high_temperature/0_1ns 38Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg6-Nov-2023/NNP_application/annealing_convergence_test/time_at_high_temperature/0_1ns 28Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg6-Nov-2023/NNP_application/annealing_convergence_test/time_at_high_temperature/0_1ns 43Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg6-Nov-2023/NNP_application/annealing_convergence_test/time_at_high_temperature/0_01ns 13Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg6-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/1100 41Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg6-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/1100 42Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg6-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/1100 40Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg6-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/1100 39Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg6-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/1100 14Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
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