Prof. Roi Baer

Roi Baer
Professor of Chemistry
Aronberg 121 Fax: 02 6513 742
02 6586 114

Ratner Family Chair in Chemistry

Postdoc,1998, Chemistry, University of California, Berkeley, CA.

Ph.D.1996, Chemistry, The Hebrew University of Jerusalem.

M.Sc.1993, Chemistry, Summa Cum Laude, The Hebrew University of Jerusalem.

B.Sc.1982, Mathematics and Physics, The Hebrew University of Jerusalem.


Research Focus:
A theoretical chemist, developing new theories and computational methods to predict the properties of molecules, nanocrystals and in general materials directly from the basic laws of quantum physics. His research focuses on the search of new mathematical and computational ways for describing the molecular processes behind efficient production of sustainable energy, including conversion of sunlight to electricity via solar-cells and production of clean and efficient fuels from natural gas. Baer's recent research involves development of new computational techniques for studying the behavior of charge carriers in nanocrystals and polymers.

Selected Publications

D. Neuhauser, E. Rabani, Y. Cytter and R. Baer "Stochastic Optimally-Tuned Ranged-Separated Hybrid Density Functional Theory", J. Phys. Chem. in press (2016).
DOI: 10.1021/acs.jpca.5b10573

V. Vlček, H. R. Eisenberg, G. Steinle-Neumann E. Rabani, D. Neuhauser and R. Baer, "Spontaneous charge-carrier localization in extended one-dimensional systems", Phys. Rev. Lett. 116, 186401 (2016).DOI:

Q. Feng, A. Yamada, R. Baer & B. D. Dunietz, "Deleterious effects of exact exchange functionals on predictions of molecular conductance", Submitted (2016).

R. E. Hadad and R. Baer "Minimally-corrected partial atomic charges that reproduce the dipole moment", submitted (2015).

E. Rabani, R. Baer, and D. Neuhauser, "Time-dependent Stochastic Bethe-Salpeter Approach", Phys. Rev. B 91, 235302 (2015).

Y. Gao, D. Neuhauser, R. Baer, E. Rabani, "Sublinear scaling for time-dependent stochastic density functional theory", J. Chem. Phys. 142, 034106 (2015).
doi: 10.1063/1.4905568