高通量自动流程集成计算与数据管理智能平台及其在合金设计中的应用
High-Throughput Automatic Integrated Material Calculations and Data Management Intelligent Platform and the Application in Novel Alloys
(a) the modular (b) work area and workflows of ALKEMIE2.0
高通量自动流程集成计算与数据管理智能平台及其在合金设计中的应用 |
| 王冠杰, 李开旗, 彭力宇, 张壹铭, 周健, 孙志梅 |
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High-Throughput Automatic Integrated Material Calculations and Data Management Intelligent Platform and the Application in Novel Alloys |
| WANG Guanjie, LI Kaiqi, PENG Liyu, ZHANG Yiming, ZHOU Jian, SUN Zhimei |
| 图3 ALKEMIE2.0平台概况及可视化工作流 (a) the modular (b) work area and workflows of ALKEMIE2.0 |
| Fig.3 The outline of ALKEMIE2.0 platform (AIMD—ab initio molecular dynamics, HT—high-throughput, TC WF—Curie temperature workflow) |
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