1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Sep-2023/NNP_application/annealing_convergence_test/annealing_rate/33 1nsLian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg12-Sep-2023/NNP_application/annealing_convergence_test/annealing_temperature/900 31Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg12-Sep-2023/NNP_application/annealing_convergence_test/annealing_temperature/900 33Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg12-Sep-2023/NNP_application/annealing_convergence_test/annealing_temperature/900 32Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg12-Sep-2023/NNP_application/annealing_convergence_test/annealing_temperature/900 21Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg12-Sep-2023/NNP_application/annealing_convergence_test/annealing_temperature/900 34Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg12-Sep-2023/NNP_application/annealing_convergence_test/annealing_temperature/900 03Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg12-Sep-2023/NNP_application/annealing_convergence_test/annealing_temperature/900 05Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg12-Sep-2023/NNP_application/annealing_convergence_test/annealing_temperature/900 06Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg12-Sep-2023/NNP_application/annealing_convergence_test/annealing_temperature/900 04Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
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