Courses
See individual pages for the material on the following courses:
- Origins of Elements [Questions/discussions with students]
- Data Driven Chemistry [GitHub link]
- PgT Research Techniques – Computational Chemistry [GitHub link]
- Practical Simulations for Molecules and Materials
- Introduction to the Structural Chemistry of Ionic Solids
Workshops materials below …
Workshop MaterialS
@ EDINBURGH, MOLECULAR MODELING IN CLAY SCIENCE
The workshop materials are developed and delivered by Hannah Pollak (the developer of ClayCode), assisted by Sarah Stewart and Valentina Erastova.
To follow this workshop at your own pace, download the materials from our group’s GitHub page.
@ EDINBURGH, INTRO TO BASH
The first part of the two-day workshop introducing Bash and Python for chemistry research students was held on the 26th and 27th of September 2019 at the School of Chemistry, University of Edinburgh, supported by Edinburgh Carpenters and ECCP.
Slides can be downloaded here
Workshop step-by-step material here
Download the data-shell.zip file, unzip and place onto your Desktop.
Summary of the commands learned during the workshop.
@ EDINBURGH, SOFI2 CDT
Two-hour workshop “Studying Soils at Molecular Level – theoretical methods and applications” delivered for Cohort 6 on the 15th of January 2020. The file is password protected – password is the name of the main city hosting SOFI CDT.
@ BOCHUM, RUB Research School
Polymers in Geotechnical And Geoenvironmental Engineering: From NanoScale To Field/ Engineering Applications
11-12 October 2018, Bochum
More information www.gbf.rub.de
The motivation of the current workshop is to provide an interdisciplinary platform for presenting and discussing recent developments in research and practice regarding multiscale behaviour of polymer enhanced soils. Researchers from the fields of mineralogy, chemistry, geology and geotechnical engineering will present their current works.
PDF of the workshop lecture “Molecular Dynamics 101”.
NOTE – it is an encrypted file. The password is the name of this workshop organiser
@ GRANADA, 16th International Clay Conference
Computational Modeling in Clay Mineralogy – Summer School
ASYS – AIPEA Summer school, part of the 16th International Clay Conference, held in Granada between 15th and 16th July 2017.
Lecture notes on Free Energy Sampling Techniques.