 High entropy alloys, HEAs, have attracted significant attention due to their unique properties such as strength, ductility, and resistance to corrosion. However, discovering new single-phase HEAs has proven difficult due to a lack of an effective strategy for alloy design. Abinitio molecular dynamics simulations were used to identify potential single-phase HEAs, and phase diagram calculations were combined with these simulations to further narrow down the search. Three new single-phase HEAs were discovered FCC alloys of COFA-MNNI, CUNIPD point, and CUNIPD point RH, and HCP alloys of COOS RERU. This article was authored by David E. Alman and Michael Siegau.