Spanish outlet Marca, along with Sky Germany and Bild, report that the Bundesliga club have reached an agreement with Martinez, who is set to arrive from Toulouse to take charge at the BayArena.
Martinez is currently out of contract after completing a three-year spell in charge of the French side. He is expected to sign a two-year deal with Leverkusen as the club look to begin a new era.
The 42-year-old has built his reputation through coaching work in youth development, having previously been part of the set-ups at Espanyol and FC Barcelona before stepping into senior management.
At Leverkusen, he is expected to succeed Kasper Hjulmand, who has not yet been officially dismissed but is widely reported to have no future in the role. The Dane's position has been uncertain for some time, with the club already preparing for a change in leadership.