Computations for the Nano-Scale

- Preface; P.E. Blöchl, A.J. Fisher, C. Joachim
I: Surface physics and self-assembled monolayers
1. Mesoscopic ordering from elastic and electrostatic interactions at surfaces; D. Vanderbilt
2. Chemical potential dependence of surface energetics; J.E. Northrup
3. Surface resistivity and atomic scale friction; B.N.J. Persson
4. Local probe investigation of self-assembled monolayers; W. Mizutani, D. Anselmetti, B. Michel
5. Monte Carlo studies of the microscopic properties of organic thin films; J.I. Siepmann, I.R. McDonald
6. First-principles studies of semiconductor surfaces: reconstruction and dissociative chemisorption; I. Stich, M.C. Payne, A. DeVita, M.J. Gillan, L.J. Clarke
II: Aggregates and processes at interfaces
7. Simulations of materials: clusters and interfacial junctions; U. Landman, R.N. Barnett, H.-P. Cheng, C.L. Cleveland, W.D. Luedtke
8. Stability, structure and melting of copper clusters; K.W. Jacobsen, O.H. Nielsen, O.B. Christensen
9. Structure and dynamics of confined fluids; P.A. Thompson, M.O. Robbins, G.S. Grest
10. Mechanical and electrical properties of metallic contacts; A.P. Sutton, T.N. Todorov
III: Chemistry and molecular electron transfer
11. Molecular and supramolecular self-assembly processes; R.A. Bissell, J.F. Stoddart
12. First-principles calculations of organometallic compounds; P. Margl, K. Schwarz, P.E. Blöchl
13. Electron transport through organic molecules with applications to molecular devices; A. Broo
14. Experimental long-range electron transfer and molecular switch; J.-P. Launay
IV: Scanning probes: STM and AFM
15. Adsorption and STM imaging of organic molecules from first principles; A.J. Fisher, P.E. Blöchl
16. A continuum model for force microscopy force curve data; N.A. Burnham
17. Moving an adsorbate with the tip apex of a scanning probe microscope: a comparative study of the Xe-Cu(110) and Au-NaCl(100) systems; C. Girard, X. Bouju, C. Joachim
18. Dissociation of individual molecules with a STM;