Carbon capture and storage (CCS) is broadly recognised as having the potential to play a
key role in meeting climate change targets, delivering low carbon heat and power …

Hierarchical materials that exhibit order over multiple length scales are ubiquitous in nature.
Because hierarchy gives rise to unique properties and functions, many have sought …

A highly accurate equation of state (EOS) for chain molecules formed from spherical
segments interacting through Mie potentials (ie, a generalized Lennard-Jones form with …

This paper presents the optimal design and operation of integrated wind-hydrogen-
electricity networks using the general mixed integer linear programming energy network …

Cyclopropane-functionalized hydrocarbons are excellent fuels due their high energy
density. However, the organic synthesis of these molecules is challenging. In this work, we …

In this work, we present an open-source software package, referred to as FeOs─
Framework for Equations of State and Classical Density Functional Theory. FeOs is a …

The third edition of this besteller covers the latest advancements in this rapidly growing field.
Focusing on analyses and critical evaluation of the subject, this new edition reviews the …

This article provides an introduction to and review of the field of computer-aided molecular
design (CAMD). It is intended to be approachable for the absolute beginner as well as useful …

Highlights•A brief overview on the state of the art in group-contribution based property
estimation methods, which are simple methods, easy to use, have some predictive …

Abstract The Lennard-Jones (LJ) potential is widely used for describing simple fluids; it is
also a point of departure for develo** models of complex fluids. Thermodynamic …