Project Summary

Biochar is increasingly deployed as a negative-emission technology because it can stabilise carbon in soils over decadal-to-centennial timescales. However, current carbon accounting and certification frameworks often rely on bulk proxies (e.g., elemental ratios and simple lifetime assumptions) that do not capture how biochar chemistry and surface properties evolve during real soil ageing. These molecular-scale changes are also central to biochar’s value as a soil amendment, influencing nutrient retention, water holding capacity, and interactions with dissolved organics and minerals.

This interdisciplinary PhD will combine experimental characterisation (School of GeoSciences, Prof Saran Sohi) with atomistic molecular modelling and simulation (School of Chemistry, Dr Valentina Erastova) to build a mechanistic understanding of biochar ageing in soils.

The project will:

• Characterise fresh and soil-aged biochars to quantify changes in bulk composition and surface functional groups
• Develop and validate representative atomistic models of fresh and aged biochars
• Use molecular simulations to probe how evolving functionality controls stability and interactions with key soil components, including minerals and dissolved organic matter

Working with Black Bull Biochar (industrial partner), the research will translate molecular insights into functionality-based indicators of durability and performance, supporting improved methodologies for high-integrity carbon removal credits.

Why This Scholarship Stands Out

This PhD is unique because it bridges molecular simulations with applied environmental science and industrial carbon credit markets. Biochar is one of the few scalable negative-emission technologies available today, but carbon credit frameworks rely on oversimplified assumptions about biochar longevity. This project will generate molecular-scale understanding that could improve carbon accounting methodologies. The collaboration with Black Bull Biochar means your research will have direct industrial relevance, and you will have the opportunity for a placement with the partner company. You will receive training across molecular simulation, environmental chemistry, and industry-facing carbon accounting/MRV. For a student with a strong physical chemistry background who wants to apply their skills to climate change mitigation, this is an opportunity to do fundamental science with real-world policy and market implications.

Candidate Profile and Eligibility

Key Research Questions

1. How does biochar surface chemistry evolve during soil ageing at the molecular scale?
2. How does this evolving functionality control biochar durability and long-term carbon permanence in soils?
3. How do ageing-driven changes in functionality alter biochar interactions with core soil components?
4. How can we translate molecular-scale descriptors into measurable, scalable indicators of biochar quality and durability?
5. How does functional evolution affect biochar performance as a soil amendment/fertiliser component?

My Application Strategy

1. Highlight your physical chemistry background – Be specific about coursework, research projects, or skills in thermodynamics, kinetics, or surface chemistry
2. Emphasize any molecular simulation experience – Mention software (GROMACS, LAMMPS, Gaussian, VASP) or specific simulation techniques (MD, DFT, Monte Carlo)
3. Show programming skills – Python or other data analysis languages are advantageous
4. Demonstrate interest in environmental applications – Biochar, carbon sequestration, soil science, or climate change mitigation
5. Complete the Equality, Diversity & Inclusion Form before applying – You will need the receipt number to include in your cover letter

What They Offer

Who Should Apply

This PhD is perfect for a student with a strong background in chemistry, materials science, or physics who wants to apply computational methods to environmental science. If you enjoy molecular simulations and are curious about how materials evolve in complex environments like soils, this project offers training at the intersection of chemistry, materials science, and environmental science. Candidates with experience in computational chemistry, programming, or HPC are especially encouraged, but motivated students from related disciplines are also welcome. The ideal candidate is someone who wants to understand fundamental molecular processes that matter for climate change mitigation and carbon credit markets.od safety requires understanding both the microbiology and the farming system.

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