molecular modelling of materials and interfaces
We have 2 projects under E4 DTP, both with a deadline on the 4th of Jan 2024. Please follow the links to apply.
1. Ultracool Chemistry in Noctilucent Clouds
Apply here.
2. Application of high-throughput simulations for informed design of optimised biochars for sequential treatment of emerging contaminants
Apply here.
Understanding interactions between minerals and small biopolymers under extreme conditions
The project combines computational screening and wet-lab experiments to develop a comprehensive understanding of the interactions between silicate minerals and small biologically-relevant molecules, such as amino acids, peptides, peptoids and proteins. Our goal is to study the stability of these organic molecules and their mineral-enabled adaptability to environmental conditions. We will focus on sampling the effects of salinity, ion compositions and pH at the extremes of environmental conditions. The primary interest of this work is in the preservation of biosignatures on Mars, while the insights gained in the project have tremendous significance for a wide range of scientific problems, both fundamental (such as origin of life on the early Earth) to the applied (e.g., hazardous waste storage and environmental cleanup). The project is data-driven, where the statistics obtained from molecular simulations will be used to guide the experimental studies. Such a strategy allows us to establish a protocol where computational screening is used to sample mineral-bioorganic systems, informing and directing laboratory tests.
The project is supervised by Drs Valentina Erastova (School of Chemistry) and Sean McMahon (School of Physics & Astronomy) and is also hosted in the UK Center for Astrobiology.
The studentship is fully funded for 48 months by the University of Edinburgh and covers tuition fees and an annual stipend (starting at £17,668 per annum) for a candidate satisfying EPSRC residency criteria.
Enquiries and the initial application should be directed to:
Dr Valentina Erastova, valentina.erastova[at]ed.ac.uk
The position will remain open until filled.
We have two PhD positions available via E4 DTP for September 2023 start
Deadline: 12 noon, 5th of January 2023
Application process details here
Ultracool Chemistry in Noctilucent Clouds
Supervisors: Valentina Erastova, Charles Cockell and Basile Curchod (Bristol University)
Further details here
Design of Biochar for Sequestration of Emerging Pollutants
Supervisors: Ondrej Mašek and Valentina Erastova
Further details here
It was great to be contacted by Jason for a comment on a recent work of Criado-Reyes and collaborators (and therefore be within the first to see the article). This work shows how something basic and often ignored, i.e. glassware, can affect our interpretation and understanding of chemical processes. The impact is significant here.
In 1952, Stanley Miller and Harold Urey have conducted a rather simple experiment to validate 1930s primary abiogenesis hypothesis by Oparin and Haldane, stating that conditions on early Earth would promote reactions towards the chemical complexity and the emergence of life (i.e. against Pasteur’ theory of biogenesis that life can originate only from pre-existing life). In their setup, Stanley and Harold unknowingly and fortuitously included another important component — silicate surface of the flask, through this incorporating the effect of mineral surfaces, as postulated in 1949 by Bernal, into their famous experiment.
Read more:
This summer we are joined by five wonderful undergraduate students – Kacper, Sarah, Szymon, Ioana and Ben! They have secured different competitive funding schemes to pursue a topic of their interest, to learn a new skill and to gain experience of research.
In an order of starting dates only:
Warmest welcome to our newest group members. As always grateful to the funders for the opportunity they create by these schemes. I am looking forward to working with you, learning together about how things work and to the science your placements will surely inspire!
Found out more about current and past group members, as well as opportunities to join or visit us.
We are looking for a motivated UG student from the UK university to join our group with the NERC funded placement.
Bringing Atomic-level insights to Caesium Decontamination by Clay Minerals
The student will investigate the adsorption of Cs-137 onto montmorillonite and vermiculite clays at atomic-level resolution. They will use molecular dynamics (MD) simulations, a theoretical method, providing atomistic-level details to macroscopic observations. Through this work we will gain a mechanistic understanding of the Cs-clay adsorption process and we will help inform the choice of natural clay between the local naturally available ones, on the nuclear waste disposal sites.
More details about project and eligibility here.
Application deadline 19th of May, apply here.
2 x PhD positions (click on the titles for further details):
Design of Biochar for Sequestration of Emergent Pollutants
Deadline: 7th January 2021, 12 noon
To apply follow the link www.ed.ac.uk/e4-dtp/how-to-apply
Funding & Eligibility: The studentship is fully-funded for 42 month, incl. home/international fees, research costs and UKRI stipend (currently at £15,285 per annum), and is part of the E4 Doctoral Training Partnership. For further details see Entry & Eligibility Criteria.
Comment for Chemistry World News on a recent article by A. Wolos et al “Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry” published in Science.
It is great to see the use of computers to combine our chemical knowledge, to enable predicting new chemical pathways. The team, previously known for software Chematica, lead by Bartosz Grzybowski and Sara Szymkuć, demonstrated how this can be used to map-out reactions from most simple early Earth ones towards the building blocks of life.
Read more:
As a small community of scientist from the Universities of Edinburgh and Durham, we started www.scientist-next-door.org project.
Our aim is to share our passion for science with children that are now bound to be homeschooled through the COVID-19 lockdown.
We believe this time can become a life-changing opportunity and help bring up a new generation of fantastic scientists!
During the lockdown, we will hold group video calls with families and discuss topics of interest, share ideas and resources.
We have called this project Scientist Next Door as we think after the lockdown is over, it would be great to meet in person your neighbouring scientists!
You can learn more about scientists participating to this project here. And if you are a scientist and would like to join us, contact Valentina.
And for now, stay home, stay safe, look after yourselves and loved ones and join the forum and the upcoming video calls.
