Impressions by a dinosaur - summary of Faraday discussion 169: molecular simulations and visualization

Faraday Discuss. 2014:169:521-7. doi: 10.1039/c4fd00130c. Epub 2014 Sep 2.

Abstract

A computer scientist was selected to prepare summary comments on the Faraday discussion. Much fine work was reported at the discussion. The tools and techniques reported at the conference have made radical improvements over past decades, and those are severally celebrated. Concerns and caveats about the papers are discussed.