https://doi.org/10.1140/epjp/s13360-023-04732-5
Tutorial
Eat, sleep, code, repeat: tips for early-career researchers in computational science
1
EPSRC Centre for Doctoral Training in Modelling of Heterogeneous Systems, University of Warwick, CV4 7AL, Coventry, UK
2
Department of Chemistry, University of Warwick, CV4 7AL, Coventry, UK
3
EPSRC Centre for Doctoral Training in Diamond Science and Technology, University of Warwick, CV4 7AL, Coventry, UK
4
Department of Physics, University of Warwick, CV4 7AL, Coventry, UK
5
EPSRC Centre for Doctoral Training in Mathematics for Real-World Systems, University of Warwick, CV4 7AL, Coventry, UK
6
School of Chemistry, University of Nottingham, NG7 2RD, Nottingham, UK
Received:
15
November
2023
Accepted:
22
November
2023
Published online:
9
December
2023
This article is intended as a guide for new graduate students entering the field of computational science. With the increasing influx of students with diverse backgrounds joining the ever-popular field, the aim of this short guide is to help students navigate through the various computational techniques that they are likely to encounter during their studies. Here, we cover a broad spectrum of techniques, including Bash scripting, scientific programming, and machine learning, among other fields. This paper is structured into nine sections, each introducing a different computational method. To enhance readability, we have adopted a casual and instructive tone throughout and included relevant code snippets. Please note that due to the introductory nature of this article, it is not intended to be exhaustive; instead, we direct readers to a list of references to expand their knowledge of the techniques discussed within the paper. Finally, readers should note this article serves as an extension to our student-led seminar series, with additional resources and videos available at https://computationaltoolkit.github.io/ for reference.
Copyright comment Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
