Computations for the Nano-Scale [electronic resource] /

I. Surface physics and self-assembled monolayers -- 1) Mesoscopic ordering from elastic and electrostatic interactions at surfaces -- 2) Chemical potential dependence of surface energetics -- 3) Surface resistivity and atomic scale friction -- 4) Local probe investigation of self-assembled monolayers -- 5) Monte Carlo studies of the microscopic properties of organic thin films -- 6) First-principles studies of semiconductor surfaces: reconstruction and dissociative chemisorption -- II. Aggregates and processes at interfaces -- 7) Simulations of materials: clusters and interfacial junctions -- 8) Stability, structure and melting of copper clusters -- 9) Structure and dynamics of confined fluids -- 10) Mechanical and electrical properties of metallic contacts -- III. Chemistry and molecular electron transfer -- 11) Molecular and supramolecular self-assembly processes -- 12) First-principles calculations of organometallic compounds -- 13) Electron transport through organic molecules with applications to molecular devices -- 14) Experimental long-range electron transfer and molecular switch -- IV. Scanning probes: STM and AFM -- 15) Adsorption and STM imaging of organic molecules from first principles -- 16) A continuum model for force microscopy force curve data -- 17) Moving an adsorbate with the tip apex of a scanning probe microscope: a comparative study of the Xe-Cu(110) and Au-NaCl(l00) systems -- 18) Dissociation of individual molecules with a STM -- V. Mesoscopic electron transport -- 19) Computation of quantum-transport properties by random-matrix theory -- 20) Effect of the electromagnetic environment on single charge tunneling -- 21) Single-electron tunneling through an ultra-small metal particle -- 22) Electron transport in open quantum systems.