Crystal nucleation and growth of inorganic ionic materials from aqueous solution: selected recent developments, and implications
In this review article, selected, latest theoretical, and experimental developments in the field
of nucleation and crystal growth of inorganic materials from aqueous solution are …
of nucleation and crystal growth of inorganic materials from aqueous solution are …
Surface chemistry of carbon dioxide revisited
This review discusses modern developments in CO 2 surface chemistry by focusing on the
work published since the original review by HJ Freund and MW Roberts two decades ago …
work published since the original review by HJ Freund and MW Roberts two decades ago …
Modeling and simulations of polymers: a roadmap
Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …
engineering community. These computational approaches enable predictions and provide …
Toward a universal carbonate clumped isotope calibration: Diverse synthesis and preparatory methods suggest a single temperature relationship
Carbonate clumped isotope (Δ 47) thermometry has been applied to a wide range of
problems in earth, ocean and biological sciences over the last decade, but is still plagued by …
problems in earth, ocean and biological sciences over the last decade, but is still plagued by …
Assessment of the reactivity and hydration of Portland cement clinker phases from atomistic simulation: A critical review
Over the last decade, atomistic simulations were increasingly employed to describe
cementitious materials properties. As a complement to experimental measurements, they …
cementitious materials properties. As a complement to experimental measurements, they …
Stern layer structure and energetics at mica–water interfaces
The screening of surface charge by dissolved ions at solid–liquid interfaces—in the region of
interfacial fluid known as the electrical double layer (EDL)—plays a recurrent role in surface …
interfacial fluid known as the electrical double layer (EDL)—plays a recurrent role in surface …
Beyond temperature: Clumped isotope signatures in dissolved inorganic carbon species and the influence of solution chemistry on carbonate mineral composition
Abstract “Clumped-isotope” thermometry is an emerging tool to probe the temperature
history of surface and subsurface environments based on measurements of the proportion of …
history of surface and subsurface environments based on measurements of the proportion of …
Machine learning classical interatomic potentials for molecular dynamics from first-principles training data
The ever-increasing power of modern supercomputers, along with the availability of highly
scalable atomistic simulation codes, has begun to revolutionize predictive modeling of …
scalable atomistic simulation codes, has begun to revolutionize predictive modeling of …
Mechanism of atomic force microscopy imaging of three-dimensional hydration structures at a solid-liquid interface
Here we present both subnanometer imaging of three-dimensional (3D) hydration structures
using atomic force microscopy (AFM) and molecular dynamics simulations of the calcite …
using atomic force microscopy (AFM) and molecular dynamics simulations of the calcite …
A review of atomistic simulation methods for surface physical-chemistry phenomena applied to froth flotation
The froth flotation method, which is used for the processing of most non-ferrous ores,
involves the adsorption of both organic and inorganic reagents at the mineral/water …
involves the adsorption of both organic and inorganic reagents at the mineral/water …