Professor Noa Marom-Department of Materials Science and Engineering - Carnegie Mellon University

Professor Noa Marom

Assistant Professor, Materials Science & Engineering

Carnegie Mellon University
5000 Forbes Avenue
Pittsburgh, PA 15213-3890
Office: REH 143
Phone: 412-268-1393
Fax: 412-268-3113


Noa Marom received a B.A. in Physics and a B.S. in Materials Engineering, both Cum Laude, from the Technion- Israel Institute of Technology in 2003. From 2002 to 2004 she worked as an Application Engineer in the Process Development and Control Division of Applied Materials. In 2010 she received a Ph.D. in Chemistry from the Weizmann Institute of Science. She was awarded the Shimon Reich Memorial Prize of Excellence for her thesis. She then pursued postdoctoral research at the Institute for Computational Engineering and Sciences (ICES) at the University of Texas at Austin. From 2013 to 2016 she was an Assistant Professor in the Physics and Engineering Physics (PEP) Department at Tulane University. In 2016 she joined the Materials Science and Engineering Department at Carnegie Mellon University as an Assistant Professor. She holds courtesy appointments in the Department of Physics and the Department of Chemistry and is a member of the Pittsburgh Quantum Institute (PQI)


Education: Ph.D., Weizmann Institute of Science, 2010


Computational Materials Science
The goal of our research is to computationally design materials with desired properties for target applications. Through the portal of computer simulations we gain access to the vast configuration space of materials structure and composition. We can explore the uncharted territories of materials that have not been synthesized yet and predict their properties from first principles, based solely on the knowledge of their elemental composition and the laws of quantum mechanics. To navigate the configuration space we use genetic algorithms, steered to the most promising regions by the evolutionary principle of survival of the fittest. We develop a massively parallel genetic algorithm code, GAtor, and run it on some of the world’s most powerful supercomputers. We apply our methods to study functional nano-structured interfaces in organic and hybrid solar cells, molecular crystals, layered materials, and cluster-based nanocatalysts.


S. Bhattacharya, B. H. Sonin, C. J. Jumonville, L. M. Ghiringhelli, and N. Marom “Computational Design of Nanoclusters by Property-Based Genetic Algorithms: Tuning the Electronic Properties of (TiO2)n Clusters”, Phys. Rev. B 91, 241115(R) (2015).

N. Marom, T. Körzdörfer, X. Ren, A. Tkatchenko, and J. R. Chelikowsky  “Size Effects in the Interface Level Alignment Of Dye-Sensitized TiO2 Clusters”,  J. Phys. Chem. Lett. 5 2395 (2014)

N. Marom, R. A. DiStasio Jr., V. Atalla, S. Levchenko, A. M. Reilly, J. R. Chelikowsky, L. Leiserowitz, and A. Tkatchenko “Many-Body Dispersion Interactions in Molecular Crystal Polymorphism”, Angew. Chem. Int. Ed. 52,6629 (2013)

T. Körzdörfer and N. Marom “A Strategy for Finding a Reliable Starting Point for G0W0 Demonstrated for Molecules”, Phys. Rev. B 86, 041110(R) (2012)

N. Marom, M. Kim, and J. R. Chelikowsky “Structure Selection Based on High Vertical Electron Affinity for TiO2 Clusters”, Phys. Rev. Lett. 108, 106801 (2012)

N. Marom, J. Bernstein, J. Garel, A. Tkatchenko, E. Joselevich, L.  Kronik, and O. Hod “Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride”, Phys. Rev. Lett. 105, 046801 (2010).

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