There are 11 research groups in the center, each headed by a PI:
| Noam Agmon | Ronnie Kosloff |
| Roi Baer , Director | Raphael David Levine |
| Avinoam Ben-Shaul | Masha Niv |
| Robert Benny Gerber | Igor Schapiro |
| Eberhard K, U, Gross | Assaf Zemel |
| Daniel Harries |
Fritz Haber Center for Molecular Dynamics
Founded in 1981 by the Hebrew University and the Minerva Foundation
