Biochar Molecular Models
A Database of Experimental Measured Parameters and a collection of Molecular Building Blocks to generate molecular models of biochar materials for simulation with GROMACS.
Please see:
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Rosie Wood, Ondrej Masek and Valentina Erastova, Biochars at the molecular level. Part 1 – Insights into the molecular structures within biochars, arXiv:2303.09661
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Rosie Wood, Ondrej Masek and Valentina Erastova, Biochars at the molecular level. Part 2 – Development of realistic molecular models of biochars, arXiv:2303.09907
