 The researchers have developed a novel approach to discovering single-phase high entropy alloys, HEAs. They used a binitio-molecular dynamic simulations to identify potential crystal structures, combine this information with phase diagram calculations using the CALFID method and then inspected existing phase diagrams to find new single-phase HEAs. Using this methodology, they were able to predict new single-phase HEAs such as COFA-MNNI, CUNIPD point and CUNIPD point RH and COOS RERU. This article was authored by David E. Alman and Michael C. Gao.