Groundbreaking method for computer simulation: Car-Parrinello method turns 25

ETH Life just published an article on the Car-Parrinello method for  performing ab-initio quantum mechanical molecular dynamics (MD). Prof. Parrinello, one of the two scientists that created the methods holds a dual professorship at ETH Zurich and the Università della Svizzera italiana in Lugano from 2011.

The method has been developed 25 years ago and allowed the first quantum mechanical calculation of the molecular state – “ab initio”. The Car-Parrinello method has been developed and honed for different applications over the years and has produced a lot of important information in various research disciplines.