Virtual Computational Chemistry Teaching Laboratories—Hands-On at a Distance

Kobayashi, Rika;Goumans, Theodorus P. M.;Carstensen, N. Ole;Soini, Thomas M.;Talirz, Leopold;et.al.
(2021) Journal of Chemical Education — Vol. 98, n° 10, p. 3163-3171 (2021)

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Authors
  • Kobayashi, Rikaorcid-logoNational Computational Infrastructure, The Australian National University, Acton, ACT 2601, Australia
    Author
  • Goumans, Theodorus P. M.Software for Chemistry & Materials, 1081 HV Amsterdam, The Netherlands
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  • Carstensen, N. OleSoftware for Chemistry & Materials, 1081 HV Amsterdam, The Netherlands
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  • Soini, Thomas M.Software for Chemistry & Materials, 1081 HV Amsterdam, The Netherlands
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  • Poncé, Samuelorcid-logoUCLouvain
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  • Talirz, Leopoldorcid-logoTheory and Simulation of Materials (THEOS), Faculté des Sciences et Techniques de l’Ingénieur, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
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Abstract
The COVID-19 pandemic disrupted chemistry teaching practices globally as many courses were forced online, necessitating adaptation to the digital platform. The biggest impact was to the practical component of the chemistry curriculum-the so-called wet lab. Naively, it would be thought that computer-based teaching laboratories would have little problem in making the move. However, this is not the case as there are many unrecognized differences between delivering computer-based teaching in-person and virtually: software issues, technology, and classroom management. Consequently, relatively few “hands-on” computational chemistry teaching laboratories are delivered online. In this paper, we describe these issues in more detail and how they can be addressed, drawing on our experience in delivering a thirdyear computational chemistry course as well as remote hands-on workshops for the Virtual Winter School on Computational Chemistry and the European BIG-MAP project.
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Kobayashi, R., Goumans, T. P. M., Carstensen, N. O., Soini, T. M., Marzari, N., Timrov, I., Poncé, S., Linscott, E. B., Sewell, C. J., Pizzi, G., Ramirez, F., Bercx, M., Huber, S. P., Adorf, C. S., & Talirz, L. (2021). Virtual Computational Chemistry Teaching Laboratories—Hands-On at a Distance. Journal of Chemical Education, 98(10), 3163-3171. https://doi.org/10.1021/acs.jchemed.1c00655 (Original work published 2021)