Assessing the adsorption properties of nanoporous materials and determining their
structural characterization is critical for progressing the use of such materials for many …

Computational screening methods have changed the way new materials and processes are
discovered and designed. For adsorption-based gas separations and carbon capture, recent …

Within the last two decades major progress has been achieved in understanding the
adsorption and phase behavior of fluids in ordered nanoporous materials and in the …

This contribution provides a critical review of gas physisorption in the textural
characterization of porous solids, with the focus on the artifacts in experimental data that …

A major obstacle for machine learning (ML) in chemical science is the lack of physically
informed feature representations that provide both accurate prediction and easy …

Experimental results on polymer, protein, and composite cryogels and data treatment
methods used for morphological, textural, structural, adsorption and diffusion …

Molecular simulations based on reactive force-fields (ReaxFF) have been applied as a
powerful tool for exploring the dynamics evolution of complex carbonaceous materials. A …

Considerable progress has been made recently in the use of nanoporous materials for
hydrogen storage. In this article, the current status of the field and future challenges are …

Carbon dioxide injection in coal seams is known to improve the methane production of the
coal seam, while ensuring a safe and long-term carbon sequestration. This improvement is …

While activated carbons are used as electrode materials in commercial supercapacitors,
they are not stable under high voltage operation especially at a positive-electrode side, and …