Table of Contents

I Electronic Structure and Quantum Dynamics.- 1. From First Principles to Predictions of New Properties.- 2. Density Functional Theory and Computational Materials Physics.- 3. Modeling Materials by Ab Initio Molecular Dynamics.- 4. Empirical Pseudopotentials for Semiconductors.- 5. Total Energy Calculations of Solids Using Pseudopotentials.- 6. Quantum Monte Carlo Methods.- 7. Quasiparticle Theory of Electron Excitations in Solids.- 8. Ab Initio Statistical Mechanics.- 9. First Principles Molecular Dynamics with Variable Cell Shape.- 10. New Approach to Pseudopotential Construction.- II Semiconductors, Insulators and Metals.- 11. Raman Scattering in Semiconductors with Reduced Translational Invariance.- 12. New Prospective in Molecular Beam Growth.- 13. First Principles and Second Principles (Semiempirical) Pseudopotentials.- 14. Microscopic Theory of the Properties of Semiconductor Heterojunctions.- 15. Total Dielectric Function Treatment of Electron and Phonon Response in Solids.- 16. Unusual Properties of Impurities and Defects: Challenges and Opportunities.- 17. Boltzmann Theory and Resistivity of Metals.- III Surfaces, Interfaces and Clusters.- 18. Origins and Consequences of Surface Stress.- 19. First Principles Quasiparticle Calculations for Semiconductor Surfaces.- 20. Metal Surface Reconstructions.- 21. Shell Structure in Metal Clusters.- 22. Electronics Properties in Quantum Dots.- 23. Chemical Reactivity Theory for Physicists: A Work in Progress.- IV Materials Under Pressure.- 24. High Pressure Phase Diagram of Silicon: A Model System in Condensed Matter Physics.- 25. Charge Transfer Gap Closure in Transition Metal Halides Under Pressure.- 26. High Pressure Phases of Semiconductors.- 27. Metallic Hydrogen.- 28. Ab Initio Pseudopotential Methods for Oxides:?-Quartz Near the Amorphous Transition.- V Superconductivity.- 29. The Unusual High Temperature Superconductors: HgBa2Can-1CunO2n+2+? with n=1,2,3....- 30. Intercalating High Tc Oxide Superconductors.- 31. Regularities Among the Classes of High Temperature Superconductors: Questions of Pressure.- 32. Electronic Structure of Hole-Doped Copper Oxides and a New Mechanism of High Temperature Superconductivity.- VI Fullerenes, Superhard Materials and Other Novel Materials.- 33. Electronic Structure of Fullerenes and Fullerides.- 34. Superconductivity in Alkali Fullerenes.- 35. Photoemission and Optical Properties of C60 Fullerites.- 36. Predicting New Hard Materials.