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Functional Molecules on Surfaces:
New Building Blocks for Nano-Spintronics

CECAM/Psi-k Workshop 2012

October 2nd - 4th, 2012

Location: Gustav-Stresemann-Institut, Bonn, Germany


Here you can find the up-to-date  FunMol Program (PDF, 95 kB)
(Date September 12, 2012).

Tuesday 2nd October

8.50-9.00 Welcome
Session: "Functional molecules on surfaces and in molecular junctions I"
9.00-9.35 Roberta Sessoli: "  Single Molecule Magnets on Surfaces: achievements and challenges (PDF, 8 MB) "
9.35-10.10 Federico Totti: "  Molecular Magnets on Surfaces: from tailoring to the catwalk (PDF, 23 MB) "
10.10-10.45 Carlo M. Canali: "Magnetic properties of the charged states of Fe4 SMM on surfaces and in molecular junctions"
10.45-11.15 Coffee break
Session: "Transport and tunneling through functional molecules I"
11.15-11.50 Richard Berndt: "  A surface science approach to molecular conductance (PDF, 2 MB) "
11.50-12.25 Kristian S. Thygesen: "  Quasiparticle calculations of level alignment and transport at metal-molecule interfaces (PDF, 2 MB) "
12.25-14.00 Lunch break
14.00-14.35Mario Ruben: "Supramolecular Quantum Spintronics"
Session: "Dispersion forces"
14.35-15.10 Stefan Grimme: "  Dispersion corrections for density functional theory (PDF, 12 MB) "
15.10-15.40 Ikutaro Hamada: "  Van der Waals density functional applied to adsorption systems (PDF, 6 MB) "
15.45-16.05Wei Liu: "Benzene Adsorbed on Metals: Concerted Effect of Covalency and van der Waals
16.05-16.35 Coffee break
16.35-17.10 Yoshitada Morikawa : "  First-principles Investigation of Dipole Layer Formation at Organic/Metal Interfaces (PDF, 8 MB) "
17.10-17.45 Pedrag Lazic: "  The role of the nonlocal correlation in surface adsorption (PDF, 12 MB) "
17.45-19.00 Poster session
19:00 Dinner

Wednesday 3rd October

 Session: "Functional molecules on surfaces and in molecular junctions II"
9.00-9.35 Marco Affronte: "  Control in the deposition of functional molecular nanomagnets (PDF, 13 MB) "
9.35-10.10 Carlo Massobrio: "  Structural, electronic and magnetic properties at the ferrocene/Cu(111) (PDF, 14 MB) "
10.10-10.45 Jeff Neaton: "Electronic Structure and Energy Conversion at Organic-Inorganic Interfaces,
from Junctions to Assemblies"
10.45-11.15 Coffee break
Session: "Functional molecules on surfaces and in molecular junctions III"
11.15-11.50Peter Oppeneer: "  Magnetic interaction at the metalorganic molecule–substrate interface: Insights from fifirst-principles calculations (PDF, 14 MB) "
11.50-12.25Heiko Wende: "Utilizing molecule/substrate interactions to create new spin-hybrid systems"
12.25-14.00Lunch break
 Session: "Transport and tunneling through functional molecules II"
14.00-14.35 Saw W. Hla: "Novel Molecular Materials: Molecular Superconductors to Molecular
14.35-14.55 Michael Rohlfing: "  Molecular Electronic Spectrum on a Metal Substrate: Quasiparticle Energies and Kondo Resonance (PDF, 3 MB) "
14.55-15.30 Stefano Sanvito: "  Molecular spintronics with spin crossover compounds (PDF, 4 MB) "
15.30-16.05  Giovanni Cuniberti: "Spin selective transport through helical molecular systems" 
16.05-16.35Coffee break
Session: "Carbon based nanostructures and graphene"
16.35-17.10 Lapo Bogani: "Carbon nanostructures and molecular magnets: from ultra-high sensitivity
to molecular spintronics"
17.10-17.45 Bart Partoens: "  Hydrogenation and fluorination of single and bilayer graphene (PDF, 5 MB) "
17.40-18.20 Claudia Draxl: "  Organic pi-conjugated molecules inside carbon nanotubes: Nano-sized light-emitting hybrids (PDF, 5 MB) "
19:00 Conference dinner

Thursday 4th October

Session: "Functional molecules on surfaces and in molecular junctions IV"
9.00-9.35 Germar Hoffmann: "  Interviewing a Molecular Spin State (PDF, 24 MB) "
9.35-10.10 Kyungwha Park: "Effect of a strongly spin-orbit coupled substrate on a singlemolecule magnet Mn12"
10.10-10.30Andrea Floris: "  Stereoselectivity and electrostatics in charge transfer Mnand Cs-TCNQ4 networks on Ag(100) (PDF, 764 kB) "
10.30-11.00 Coffee break
Session: "Transport and tunneling through functional molecules III"
11.00-11.35 Jens Kortus: "  Metal-phthalocyanies: Materials formolecular spintronics (PDF, 3 MB) "
11.35-12.10 Nicolas Lorente: "  Magnetic properties of phthalocyanine derivatives on metal surfaces: from magnetic IETS to the Kondo effect (PDF, 3 MB) ."
12.10-12.30Mark Pederson: "  DFT-based Modeling of Field-Dependent Control and Response of Nanomagnetic Molecules (PDF, 4 MB) "
12.30-13.30 Lunch break
Session: "Functional molecules and networks"
13.30-14.05 Eliseo Ruiz: "Mononuclear transition metal complexes: a simple alternative"
14.05-14.40 Mihail Atanasov: "  Ab Initio First-Principles Study of the Magnetic Anisotropy in Linear High-Spin Fe(II) Complexes (PDF, 4 MB) "
14.40-15.00 Alessandro Stroppa: "  Polar and Magneto-Electric Properties of Anti-Ferrodistortive Ordered Jahn-Teller Distortions in a metal-organic multiferroic (PDF, 14 MB) "
15.00 Conclusions