Roberto Car



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1971     Politecnico di Milano    Ph.D

Work Experience

1999-Present   Princeton University      Professor

Research Interests

Molecular dynamics simulation


Elected Member of the National Academy of Sciences(2016)

National Award in Theoretical Chemistry of the American Chemical Society (2016)

Enrico Fermi Prize of the Italian Physical Society (2012)

Doctor Degree Honoris Causa, EPFL, Lausanne, Switzerland (2011)

Berni J. Alder CECAM Prize in Computational Physics (2010)

Sidney Fernbach Award of the IEEE Computer Society (2009)

Dirac Medal and Prize of the International Centre for Theoretical Physics (ICTP) (2008)

Humboldt Research Award for Senior U.S. Scientists (2009)

Doctor Degree Honoris Causa, University of Trieste, Italy (2005)

A. Rahman Prize of the American Physical Society (1995)

Hewlett-Packard Prize of the European Physical Society (1990)


[1]Palmer, J. C.; Martelli, F.; Liu, Y.; Car, R.; Panagiotopoulos, A. Z.; Debenedetti, P. G., "Metastable liquid-liquid transition in a molecular model of water." Nature 2014, 510(7505), 385-+.

[2]Santra, B.; Klimes, J.; Tkatchenko, A.; Alfe, D.; Slater, B.; Michaelides, A.; Car, R.; Scheffler, M., On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures. Journal of Chemical Physics 2013, 139 (15).

[3]DiStasio, R. A., Jr.; Marcotte, E.; Car, R.; Stillinger, F. H.; Torquato, S., "Designer spin systems via inverse statistical mechanics." Physical Review B 2013, 88 (13).

[4]Flammini, D.; Pietropaolo, A.; Senesi, R.; Andreani, C.; McBride, F.; Hodgson, A.; Adams, M. A.; Lin, L.; Car, R., "Spherical momentum distribution of the protons in hexagonal ice from modeling of inelastic neutron scattering data." Journal of Chemical Physics 2012,136 (2).

[5]Liu, L.-M.; Car, R.; Selloni, A.; Dabbs, D. M.; Aksay, I. A.; Yetter, R. A., "Enhanced Thermal Decomposition of Nitromethane on Functionalized Graphene Sheets: Ab Initio Molecular Dynamics Simulations." Journal of the American Chemical Society 2012, 134(46), 19011-19016.

[6]Tkatchenko, A.; DiStasio, R. A., Jr.; Car, R.; Scheffler, M., "Accurate and Efficient Method for Many-Body van der Waals Interactions." Physical Review Letters 2012, 108 (23).

[7]Kong, L.; Wu, X.; Car, R., "Roles of quantum nuclei and inhomogeneous screening in the x-ray absorption spectra of water and ice." Physical Review B 2012, 86 (13).

[8]Zipoli, F.; Car, R.; Cohen, M. H.; Selloni, A., "Electrocatalyst design from first principles: A hydrogen-production catalyst inspired by nature." Catalysis Today 2011, 165 (1), 160-170.

[9]Lin, L.; Morrone, J. A.; Car, R., "Correlated Tunneling in Hydrogen Bonds." Journal of Statistical Physics 2011, 145 (2), 365-384.

Tang, Y. H.; Kioussis, N.; Kalitsov, A.; Car, R., "Effect of disorder on spin-transfer torque in magnetic tunnel junctions." Journal of Applied Physics 2011, 109 (7).