We gratefully acknowledge funding via following Grants and Funding Agencies:

Engineering and Physical Sciences Research Council (EPSRC)

• EPSRC Centre for Doctoral Training for Diamond Science and Technology (EPSRC DST CDT)
• EPSRC Centre for Doctoral Training for Molecular and Analytical Sciences (EPSRC MAS CDT)
• EPSRC/MRC Centre for Doctoral Training for Mathematics for Real-World Systems (EPSRC/MRC MathSys CDT)
• EPSRC Doctoral Studentship funded via the National Productivity Investment Fund (NPIF)

We acknowledge HPC access granted via

• Warwick SC RTP and HPC Midlands Plus Tier 2 Centre - EPSRC Grant EP/P020232/1
• ARCHER and Thomas via the Materials Chemistry Consortium (MCC), EP/R029431/1

Royal Society of Chemistry (RSC)

We acknowledge support by the RSC Farraday Division via a Travel Grant.