This review presents the state-of-the-art of adsorption characterization of mesoporous and
microporous materials by using the density functional theory (DFT) methods. The DFT …

Spatial confinement in nanoporous media affects the structure, thermodynamics and mobility
of molecular soft matter often markedly. This article reviews thermodynamic equilibrium …

When a solid surface accommodates guest molecules, they induce noticeable stresses to
the surface and cause its strain. Nanoporous materials have high surface area and …

Existing texts on the statistical mechanics of liquids treat only spherical molecules. However,
nearly all fluids of practical interest are composed of non-spherical molecules that are often …

We present a novel quenched solid density functional theory (QSDFT) model of adsorption
on heterogeneous surfaces and porous solids, which accounts for the effects of surface …

We present a scheme for linear optical quantum computing using time-bin-encoded qubits in
a single spatial mode. We show methods for single-qubit operations and heralded controlled …

Composites of poly (ethylenimine)(PEI) and mesoporous silica are effective, reversible
adsorbents for CO2, both from flue gas and in direct air-capture applications. The …

In the last fifteen years several novel porous silica materials, which are periodically
structured on the mesoscopic length scale, have been synthesized. They are of broad …

Rapid improvements in our ability to model physical and chemical processes at the atomistic
level over the last two decades arise from a combination of factors: improved theoretical …

In this paper, a flexible and effective scheme is proposed to realize nonadiabatic geometric
quantum gates with the invariant based reverse engineering and the nonadiabatic …