Solvent selection and design are imperative in the CO 2 capture process. The efficiency and
the overall cost of the process are directly affected by the solvent as a consequence of the …

Finding synthesis routes for molecules of interest is essential in the discovery of new drugs
and materials. To find such routes, computer-assisted synthesis planning (CASP) methods …

Global warming issue, which increasingly aggravates over time, necessitates the carbon
capture and storage (CCS) technology for its efficient mitigation. Among the major CCS …

The unique physicochemical properties, flexible structural tunability, and giant chemical
space of ionic liquids (ILs) provide them a great opportunity to match different target …

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 …

Ionic liquids (ILs) and deep eutectic solvents (DESs) are regarded as the next generation
solvents for carbon capture which consist of cations and anions. Thousands of combinations …

The optimal design of compounds through manipulating properties at the molecular level is
often the key to considerable scientific advances and improved process systems …

The manufacture of detergent products such as laundry detergents, household cleaners and
fabric softeners are of increasing interest to the consumer oriented chemical industry …

Chemical industry is continuously looking for opportunities to manufacture the necessary
commodity chemicals as well as to convert them into higher value-added chemicals-based …

In this paper, we develop a framework for designing optimal organic Rankine cycle (ORC)
power systems that simultaneously considers both thermodynamic and economic objectives …