Group Members

Group Members

About the Group Leader

Researcher ID: E-4398-2012


Mariana was born in Campinas, SP, Brazil, and studied Physics (bachelor and masters) in the University of São Paulo. During her junior project and master studies she started working with electronic structure theory and theories for charge transport under the supervision of Prof. Antônio José Roque da Silva and Prof. Adalberto Fazzio. She then moved to Berlin, Germany, to do her Ph.D. in the Fritz Haber Institute of the Max Planck Society, under the supervision of Prof. Volker Blum and Prof. Matthias Scheffler. In her Ph.D. she worked with structure determination of biomolecules from first-principles electronic structure methods. She focused on structure search and use of ab initio molecular dynamics to compute thermodynamical and vibrational properties of these systems. Her first post-doc was at the University of Oxford with Prof. David Manolopoulos, where she learned about path integral methods and approximate quantum dynamics, focusing her work on the inclusion of nuclear quantum effects in dynamical observables. She then did another post-doc in the École Polytechnique Fédèrale de Lausanne with Prof. Michele Ceriotti, where she continued joining ab initio and path integral simulations for the calculations of thermodynamic properties of hydrogen-bonded systems. Since the end of 2016, she leads the independent Otto Hahn Group "Simulations from Ab Initio Approaches" in the Fritz Haber Institute, Berlin. From January 2020, she moved into a tenure-track position as head of a Lise Meitner Group in the Max Planck for Structure and Dynamics of Matter in Hamburg.

Mariana was awarded fellowship for her master studies from the FAPESP institution in Brazil, the Otto Hahn Award of the Max Planck Society, and a Deutsche Forschungsgemeinschaft fellowship for post-doctoral studies. She was also awarded a Junior Research Fellowship at St. Edmund Hall in Oxford during her time there and was awarded a place in the Minerva Program of the Max Planck Society. In 2019, she was awarded a Lise-Meitner Group from the Lise-Meitner Excellence program of the Max Planck Society, and in 2024 she was awarded the Nernst-Haber-Bodenstein Prize of the Deutsche Bunsen Gesellschaft.

Mariana Rossi

Lise Meitner Research Group Leader
IMPRS Faculty

Paolo Lazzaroni

Doctoral Student
IMPRS Doctoral Fellow

Zekun Lou

Doctoral Student
IMPRS Doctoral Fellow

Shubham Sharma

Doctoral Student
IMPRS Doctoral Fellow

Elia Stocco

Doctoral Student
IMPRS Doctoral Fellow

Previous Members

Dr. Svenja Janke

Dr. Nathaniel Raimbault

Dr. Haiyuan Wang

Dr. Marcin Krynski

Dr. Yair Litman

Dr. Dmitrii Maksimov

Dr. Karen Fidanyan

Eszter S. Pós

Dr. Alan Lewis

Dr. Alaa Akkoush

Summer students

Vishikh Athavale

Benjamin Sutherland


At any point, if you are an excellent researcher/student, motivated and interested in working with us, please send an e-mail to  with the subject "Position Sabia" and we can discuss funding possibilities.

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