Environmental Sciences Seminar:
Modelling Dynamics in Solids: From Origin of Life to Modern Challenges
- What interactions are key for retaining carbon in soils?
- Why some solvents are better at creating “high-surface” materials?
- How pollutants can be captured and retained by layered minerals?
- What is the role of minerals in the Origin of Life?
These seemingly unrelated questions share a common feature – they rely on specific physicochemical interactions between small molecules and soil-forming minerals.
Molecular modelling is a powerful tool allowing us to rationalise existing data and produce testable hypotheses. Within this talk, on examples from my work [1-6], I will demonstrate how computational techniques allow us to obtain atomistic information on large-scale processes occurring on our planet and beyond. I intend this talk to be an introduction to molecular modelling of minerals, and to promote fruitful interdisciplinary conversations.