Catalysis is at the core of chemistry and has been essential to make all the goods
surrounding us, including fuels, coatings, plastics and other functional materials. In the near …

Zeolites are an important class of inorganic crystalline materials that have been widely used
in the fields of petroleum refining, petrochemical industry, and fine chemical industry, as …

Generating optimal nanomaterials using artificial neural networks can potentially lead to a
notable revolution in future materials design. Although progress has been made in creating …

Zeolites are microporous silicates with a large variety of applications as catalysts,
adsorbents, and cation exchangers. Stable silica-based zeolites with increased porosity are …

There are many reasons to report on silica interacting with biomolecules. The most obvious
one is that on the Earth's crust, oxygen and silicon are the most abundant atomic species …

For first time, an experimental and computational study has been conducted to define a
structural model for the CASH gel forming in alkali-activated slag (AAS) pastes that would …

The General Utility Lattice Program (gulp) has been extended to include the ability to
simulate polymers and surfaces, as well as adding many other new features, and the current …

A novel methodology, called ADOR (assembly–disassembly–organisation–reassembly), for
the synthesis of zeolites is reviewed here in detail. The ADOR mechanism stems from the …

Proteins persist longer in the fossil record than DNA, but the longevity, survival mechanisms
and substrates remain contested. Here, we demonstrate the role of mineral binding in …

This paper reviews atomistic force field parameterizations for molecular simulations of
cementitious minerals, such as tricalcium silicate (C 3 S), portlandite (CH), tobermorites …