The meeting took place shortly after Grossi’s arrival in Tehran on Friday evening. No details have been released from the session so far.
Grossi will hold more meetings with Iranian officials later on Saturday.
Tehran and the IAEA have been engaged in a diplomatic row for months over what the latter claims to be nuclear activities at “undeclared sites” in Iran, an allegation roundly dismissed by Tehran.
The tensions rose further recently after a Bloomberg report said particles of uranium enriched to 84% purity level had been found by the agency’s inspectors in Iran.
Iran has denounced the report as unprofessional, arguing that the existence of such particles is natural in enrichment process.
The dispute has been one of the obstacles to the revival of the 2015 nuclear agreement between Iran and world powers.