Anton Grigoriev

researcher at Department of Physics and Astronomy, Materials Theory

+4618-471 5865
Visiting address:
Room Å:13204 Ångströmlaboratoriet, Lägerhyddsvägen 1

Postal address:
Box 516
751 20 UPPSALA

Short presentation

Member of Condensed Matter Theory group (CMT) and Uppsala University UniMolecular Electronics Center (U3MEC). Research interests: surface physics, surface chemistry and electron transport properties of nanosystems. I use computer simulations to study surface structure, understanding molecular adsorption and intermolecular interactions. The major application area considered is molecular electronics. I am an expert in modeling of electron transport in metal-molecule-metal systems.

Keywords: infoglue cms research adsorption batteries molecular electronics ab initio simulations density functional theory surfaces

Selected Publications

The role of charge-charge correlations and covalent bonding in the electronic structure of adsorbed C60: C60/Al, J. Schiessling, A. Grigoriev, M. Stener, L. Kjeldgaard, T. Balasubramanian, P. Decleva, R. Ahuja, J. Nordgren, P. A. Brühwiler, The Journal of Physical Chemistry C 114 (2010) 18686, DOI: 10.1021/jp104090d.

Interplay of covalent bonding and correlation effects at molecule–metal contacts, J. Schiessling, A. Grigoriev, R. Fasel, R. Ahuja and P.A. Bruhwiler, Chemical Physics Letters 478 (2009) 191-194,
DOI: 10.1016/j.cplett.2009.07.065.

Electron transport in stretched monoatomic gold wires A. Grigoriev, N.V. Skorodumova, S.I. Simak, G. Wendin, B. Johansson, R. Ahuja Physical Review Letters, Vol. 97, p. 236807, 2006; included in the Virtual Journal of Nanoscale Science & Technology 14 (25) December 18, 2006,
DOI: 10.1103/PhysRevLett.97.236807

Critical Roles of Metal-Molecule Contacts in Electron Transport Through Molecular-wire Junctions A. Grigoriev, J. Skoldberg, G. Wendin and Z. Crljen Physical Review B, Vol. 74, No. 4, p. 045401, 2006 (Preprint: cond-mat/0603518); included in the Virtual Journal of Nanoscale Science 14 (3) July 2006, DOI: 10.1103/PhysRevB.74.045401

Book chapter: Molecular Electronics Devices by A. Grigoriev and R. Ahuja for Nano and Molecular Electronics Handbook, editor S.E. Lyshevski, CRC Press, 2007. Preview available at

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Anton Grigoriev