1. Barcelona Supercomputing Center

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 09Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 08Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 10Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 04Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 05Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 06Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 03Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 07Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 22Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
thumbnail.jpeg7-Nov-2023/NNP_application/annealing_convergence_test/annealing_temperature/500 26Lian, ZanLAMMPS; 29 Sep 2021 - Update 3Molecular Dynamics---
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