Lubricants are an essential component in industry and are widely used. They can protect surfaces from wear, reduce friction, transfer heat, and ensure the smooth functioning of mechanical devices.

A group of TU Delft bachelor students has developed, as part of the students' minor in Computational Science and Engineering, a new model that accurately predicts the molecular properties of alkanes.

A systematic and comprehensive semiempirical, Hartree-Fock (HF) ab initio, and B3LYP density functional theory (DFT) study was conducted on the relative thermodynamic properties of various linear and ...