Computational Chemistry - Space & Time Travellers Tool

Day 3

Wednesday 29th Jan 2025

Prof. Valentina Erastova

School of Chemistry, University of Edinburgh

11:00 CET

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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.

Recording:

Can be found here

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Financial Support

The 2025 edition of the Virtual Winter School on Computational Chemistry is proudly sponsored by the School of Chemistry at the University of Edinburgh.

The Cooper Union for the Advancement of Science and Art is pleased to provide support for the 2024 VWSCC through a generous donation from Alan Fortier.

We thank Leibniz Institute for Catalysis (LIKAT) and CECAM for their support.