1. Barcelona Supercomputing Center

Browsing by Author Cai, Wenwei

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Showing results 1 to 20 of 219  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-20250_K+Cai, Wenweivasp; 6.1.0; 28Jan20 (build Dec 05 2023 23:52:41) gamma-onlyAb-Initio Molecular DynamicsDFT--1131.02829692; eV
thumbnail.jpeg18-Mar-20250_K+Cai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:38:20) gamma-onlyAb-Initio Molecular DynamicsDFT--1133.65656978; eV
thumbnail.jpeg17-Mar-20251_16_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--362.27358893; eV
thumbnail.jpeg17-Mar-20251_16_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--362.27358893; eV
thumbnail.jpeg17-Mar-20251_16_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--362.27358893; eV
thumbnail.jpeg17-Mar-20251_32_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--354.92433864; eV
thumbnail.jpeg17-Mar-20251_32_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--354.92433864; eV
thumbnail.jpeg17-Mar-20251_32_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--354.92433864; eV
thumbnail.jpeg17-Mar-20251_8_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--376.97466480; eV
thumbnail.jpeg17-Mar-20251_8_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--376.97466480; eV
thumbnail.jpeg17-Mar-20251_8_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--376.97466480; eV
thumbnail.jpeg18-Mar-20251_K+Cai, Wenweivasp; 6.1.0; 28Jan20 (build Dec 05 2023 23:52:41) gamma-onlyAb-Initio Molecular DynamicsDFT--1135.62145418; eV
thumbnail.jpeg18-Mar-20251_K+Cai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:38:20) gamma-onlyAb-Initio Molecular DynamicsDFT--1137.24899257; eV
thumbnail.jpeg18-Mar-20252_K+Cai, Wenweivasp; 6.1.0; 28Jan20 (build Dec 05 2023 23:52:41) gamma-onlyAb-Initio Molecular DynamicsDFT--1140.08794747; eV
thumbnail.jpeg18-Mar-20252_K+Cai, Wenweivasp; 6.1.0; 28Jan20 (build Dec 05 2023 23:52:41) gamma-onlyAb-Initio Molecular DynamicsDFT--1139.38647609; eV
thumbnail.jpeg17-Mar-20253_32_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--369.62622160; eV
thumbnail.jpeg17-Mar-20253_32_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--369.62622160; eV
thumbnail.jpeg17-Mar-20253_32_ML_OCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--369.62622160; eV
thumbnail.jpeg18-Mar-2025AgCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--188.21836652; eV
thumbnail.jpeg18-Mar-2025AgCai, Wenweivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 12 2022 11:36:42) complexGeometry optimizationDFT--199.43984848; eV
Showing results 1 to 20 of 219  next >