The use and the properties of the virial expansion are reviewed and speculations given
concerning possible future developments. Firstly an account is given of the methodologies …

Transport properties of working fluids are of great importance of analyses of supercritical
thermodynamic cycles. However, at the present stage, the lack of available data poses …

Recent advances regarding the interplay between ab initio calculations and metrology are
reviewed, with particular emphasis on gas-based techniques used for temperature and …

So-called “weak” protein–protein interactions are important for the control of solution
properties and stability at elevated protein concentrations (c 2) but are not practical to …

An ab initio nonadditive three-body potential for argon has been developed using quantum-
chemical calculations at the CCSD (T) and CCSDT levels of theory. Applying this potential …

A four-dimensional potential energy hypersurface (PES) for the interaction of two rigid
nitrogen molecules was determined from high-level quantum-chemical ab initio …

The virial equation of state (VEOS) provides a rigorous bridge between molecular
interactions and thermodynamic properties. The past decade has seen renewed interest in …

A four-dimensional intermolecular potential energy surface (PES) for two rigid carbon
dioxide molecules was determined from quantum-chemical ab initio calculations. Interaction …

Interactions among proteins, nucleic acids, and other macromolecules are essential for their
biological functions and shape the physicochemcial properties of the crowded environments …

FEASST is an open-source Monte Carlo software package for particle-based simulations.
This software, which was released in 2017, has been used to study phase equilibrium, self …