University Chemistry ›› 2025, Vol. 40 ›› Issue (3): 36-41.doi: 10.12461/PKU.DXHX202403096

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Experimental Design of Computational Materials Science and Computational Chemistry Courses Based on the Bohrium Scientific Computing Cloud Platform

Zhenming Xu1, Yibo Wang2, Zhenhui Liu1, Duo Chen1, Mingbo Zheng1, Laifa Shen1   

  1. 1 College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China;
    2 Beijing Shenshi Technology Co., Ltd., Beijing 100089, China
  • Received:2024-03-27 Accepted:2024-05-28 Published:2025-03-19
  • Contact: Laifa Shen E-mail:lfshen@nuaa.edu.cn

Abstract: The Bohrium scientific computing cloud platform offers several advantages, including easily configurable computing environments, straightforward software installation, seamless member collaboration, and abundant computing resources. These features address common issues in traditional computational simulation courses, such as software installation difficulties and the disconnect between theory learning and practical application. The platform provides significant convenience for teaching computational simulations in materials science and chemistry, thereby greatly improving teaching efficiency. This paper highlights the features and educational advantages of the Bohrium platform, and demonstrates the design of experimental cases, including molecular modeling and molecular dynamics simulation based on the Bohrium platform.

Key words: Bohrium computing platform, Computational simulation design, Structural modeling, Molecular dynamics simulation