Scientific Computing for Chemists: An Undergraduate Course in Simulations, Data Processing, and Visualization

• Charles J. Weiss ^[1]
  1. [1] Wabash College

     Wabash College

     Township of Union, Estados Unidos

     
• Localización: Journal of chemical education, ISSN 0021-9584, Vol. 94, Nº 5, 2017, págs. 592-597
• Idioma: inglés
• Texto completo no disponible (Saber más ...)
• Resumen

  • The Scientific Computing for Chemists course taught at Wabash College teaches chemistry students to use the Python programming language, Jupyter notebooks, and a number of common Python scientific libraries to process, analyze, and visualize data. Assuming no prior programming experience, the course introduces students to basic programming and applies these skills to solve a variety of chemical problems. The course is structured around Jupyter notebooks as easily shareable documents for lectures, homework sets, and projects; the software used in this course is free and open source, making it easily accessible to any school or research lab.