Computational Chemistry - Space & Time Travellers Tool

Valentina Erastova EaSTCHEM School of Chemistry, University of Edinburgh, Scotland Group website: www.erastova.xyz Abstract: 'Where to land the next Mars rover?', and 'I found a peptide on a rocky planet - is it a sign of extraterrestrial life?' Within this talk, I will discuss the role of minerals - from silicates to ices - in the emergence of protobiomolecules; preservation of biosignatures and identification of their lookalikes. I will show how molecular modelling can aid in exploration of experimentally unattainable systems; helping to develop, test, and refine our hypothesis of the Origin of Life. The goal of this talk is to showcase some of the work in the group while fostering discussion and developing new and exciting ideas together. Resources: ClayCode is available open-source at github.com/Erastova-group/ClayCode, DOI: 10.5281/zenodo.11219451. A workshop material dedicated to ClayCode is also available: github.com/Erastova-group/ClayCode-workshop. Manual and Tutorials are available at claycode.readthedocs.io.