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From a research and engineering viewpoint, interest is typically focusing
on information regarding pathways of synthesis and physicochemical
properties of materials. Material design goes hand in hand with material
analysis and iterative optimization of pathways and properties. And a pathway does not
end with the envisioned product, but needs to consider the product
life cycle including durability, human safety, environmental risk and eventual
disassembly and recycling. To the point: a material matters not just by itself. Information
on precursor compounds, by-products and degradation products is equally important
to assess economics and sustainability aspects of a targeted material.
Often, materials are applied as parts of heterostructures—phases, films, particles,
diverse-shaped nanostructures,
just to name a few. Then, information on the other interfacing part is also desired.
It becomes obvious that efficient browsing, screening, organizing and comparing
of data is critical for an explorative and multifaceted approach in materials design.
Development of MM! is undertaken with these tasks in mind. Here,
the flexible, yet precise encoding options of materials in CurlySMILES
come into play. The CurlySMILES-tagged sniplinks provide the basis to
interrelate material properties as a function of composition, nanostructure,
microstructure and features such as impurity, porosity as well as
interwoven network and framework architecture.
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