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MARVEL NCCR
Summer School on Materials Modeling from First Principles: Theory and Practice - UC Santa Barbara, Jul 2009

The school covers basic concepts and recent advances and developments. The former include ground-state calculations for isolated molecules and extended systems, pseudopotential theory and plane-wave basis sets, forces, stresses, and geometry and reaction-path optimizations, linear-response theory and phonons, and ab-initio molecular dynamics. Advanced techniques include first-principles vibrational (IR, Raman) and magnetic (EPR, NMR) spectroscopies, electron-phonon and phonon-phonon interactions, excited states (TDDFT and GW), DFT+U and non-collinear magnetism, Wannier functions and quantum transport.

  • Med 000005087

    Prof. Walter Kohn

    Nearsightedness of Electronic Matter - Revisited (Part 1)

    Watched 2769 times.
    Public Published
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    Prof. Walter Kohn

    Nearsightedness of Electronic Matter - Revisited (Part 2)

    Watched 1002 times.
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    Stefano Baroni

    Electronic structure, density-functional theory, plane waves: a quick overview of terms and concepts (Part 1) (corrupted video, good audio)

    Watched 2115 times.
    Public Published
  • Med 000005087

    Stefano Baroni

    Electronic structure, density-functional theory, plane waves: a quick overview of terms and concepts (Part 2)

    Watched 1304 times.
    Public Published
  • Med 000005087

    Stefano Baroni

    Electronic structure, density-functional theory, plane waves: a quick overview of terms and concepts (Part 3)

    Watched 1073 times.
    Public Published
  • Med 000005087

    Shobhana Narasimhan

    DFT in practice: Some "Fundae"

    Watched 1822 times.
    Public Published
  • Med 000005087

    Shobhana Narasimhan (1), Gabriele Sclauzero (2), Brandon Wood (3)

    Postprocessing and visualization. Energy bands and equation of state of Si, Al, or the like. A few simple molecular applications. (Part 1)

    Watched 1276 times.
    Public Published
  • Med 000005087

    Steven G. Louie

    First-Principles Studies and the Spectroscopic Properties of Carbon Nanostructures: Sheets, Tubes and Ribbons (Part 1)

    Watched 1002 times.
    Public Published
  • Med 000005087

    Steven G. Louie

    First-Principles Studies and the Spectroscopic Properties of Carbon Nanostructures: Sheets, Tubes and Ribbons (Part 2)

    Watched 918 times.
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  • Med 000005087

    Shobhana Narasimhan

    Forces: Calculating Them and Using Them

    Watched 1071 times.
    Public Published
  • Med 000005087

    Stefano de Gironcoli

    Stress, Enthalpy and Variable Cell Optimization (Part 1)

    Watched 1001 times.
    Public Published
  • Med 000005087

    Stefano de Gironcoli

    Stress, Enthalpy and Variable Cell Optimization (Part 2)

    Watched 955 times.
    Public Published
  • Med 000005087

    Stefano de Gironcoli

    Rare Events and Nudged Elastic Band

    Watched 998 times.
    Public Published
  • Med 000005087

    Sadasivan Shankar

    Top 10 Challenges for Enabling Computational (Virtual) Materials Design - A Nanotechnology Perspective (Part 1)

    Watched 845 times.
    Public Published
  • Med 000005087

    Sadasivan Shankar

    Top 10 Challenges for Enabling Computational (Virtual) Materials Design - A Nanotechnology Perspective (Part 2)

    Watched 879 times.
    Public Published
  • Med 000005087

    Stefano Baroni

    Density-functional perturbation theory: forces, response functions, phonons, and all that (Part 1)

    Watched 3566 times.
    Public Published
  • Med 000005087

    Stefano Baroni

    Density-functional perturbation theory: forces, response functions, phonons, and all that (Part 2)

    Watched 886 times.
    Public Published
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    Stefano Baroni

    Density-functional perturbation theory: forces, response functions, phonons, and all that (Part 3)

    Watched 917 times.
    Public Published
  • Med 000005087

    Andrea Dal Corso

    Introduction to density functional perturbation theory for lattice dynamics (Part 1)

    Watched 877 times.
    Public Published
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    Andrea Dal Corso

    Introduction to density functional perturbation theory for lattice dynamics (Part 2)

    Watched 844 times.
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  • Med 000005087

    Nicola Spaldin

    Using Density Functional Theory to Design New Materials

    Watched 1310 times.
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  • Med 000005087

    Matteo Cococcioni

    Magnetism and correlation in open-shell systems (Part 1)

    Watched 1103 times.
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    Matteo Cococcioni

    Magnetism and correlation in open-shell systems (Part 2)

    Watched 889 times.
    Public Published
  • Med 000005087

    Andrea Dal Corso

    Introduction to noncollinear magnetism and spin-orbit coupling in QUANTUM-ESPRESSO (Part 1)

    Watched 1237 times.
    Public Published
  • Med 000005087

    Andrea Dal Corso

    Introduction to noncollinear magnetism and spin-orbit coupling in QUANTUM-ESPRESSO (Part 2)

    Watched 1033 times.
    Public Published
  • Med 000005087

    Andrea Dal Corso

    Introduction to noncollinear magnetism and spin-orbit coupling in QUANTUM-ESPRESSO (Part 3)

    Watched 1088 times.
    Public Published
  • Med 000005087

    Prof. Richard Martin

    Electronic Structure from the top down: Starting from high temperature (Part 1)

    Watched 931 times.
    Public Published
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    Richard Martin

    Electronic Structure from the top down: Starting from high temperature (Part 2)

    Watched 818 times.
    Public Published
  • Med 000005087

    Paolo Umari

    First-principles vibrational spectroscopies (Part 1)

    Watched 877 times.
    Public Published
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    Paolo Umari

    First-principles vibrational spectroscopies (Part 2)

    Watched 799 times.
    Public Published
  • Med 000005087

    Stefano de Gironcoli

    Electron-phonon interaction and phonon-phonon interaction (Part 1)

    Watched 983 times.
    Public Published
  • Med 000005087

    Stefano de Gironcoli

    Electron-phonon interaction and phonon-phonon interaction (Part 2)

    Watched 1695 times.
    Public Published
  • Med 000005087

    Andrea Dal Corso

    Pseudopotential generation and test by the ld1.x atomic code: an introduction (Part 1)

    Watched 1197 times.
    Public Published
  • Med 000005087

    Andrea Dal Corso

    Pseudopotential generation and test by the ld1.x atomic code: an introduction (Part 2)

    Watched 1177 times.
    Public Published
  • Med 000005087

    Stefano Baroni

    Density-functional perturbation theory goes time-dependent (Part 1)

    Watched 829 times.
    Public Published
  • Med 000005087

    Stefano Baroni

    Density-functional perturbation theory goes time-dependent (Part 2)

    Watched 803 times.
    Public Published
  • Med 000005087

    Stefano Baroni

    Density-functional perturbation theory goes time-dependent (Part 3)

    Watched 756 times.
    Public Published
  • Med 000005087

    Paolo Umari

    Photoemission spectroscopy: GW calculations for large systems

    Watched 854 times.
    Public Published
  • Med 000005087

    Giulia Galli

    Classical MD, Ensembles, Ab-initio MD (Part 1)

    Watched 1005 times.
    Public Published
  • Med 000005087

    Giulia Galli

    Classical MD, Ensembles, Ab-initio MD (Part 2)

    Watched 831 times.
    Public Published
  • Med 000005087

    Giulia Galli

    Classical MD, Ensembles, Ab-initio MD (Part 3) (corrupted video, good audio)

    Watched 855 times.
    Public Published
  • Med 000005087

    Giulia Galli

    Classical MD, Ensembles, Ab-initio MD (Part 4)

    Watched 844 times.
    Public Published
  • Med 000005087

    François Gygi

    Car-Parrinello MD, Parallelization (Part 1)

    Watched 824 times.
    Public Published
  • Med 000005087

    François Gygi

    Car-Parrinello MD, Parallelization (Part 2)

    Watched 784 times.
    Public Published
  • Med 000005087

    François Gygi

    Car-Parrinello MD, Parallelization (Part 3)

    Watched 820 times.
    Public Published
  • Med 000005087

    François Gygi

    Car-Parrinello MD, Parallelization (Part 4)

    Watched 786 times.
    Public Published
  • Med 000005087

    Davide Ceresoli

    Ab-initio EPR spectroscopy

    Watched 1034 times.
    Public Published
  • Med 000005087

    Ari Seitsonen

    The GIPAW-NMR method (Part 1)

    Watched 843 times.
    Public Published
  • Med 000005087

    Ari Seitsonen

    The GIPAW-NMR method (Part 2)

    Watched 793 times.
    Public Published
  • Med 000005087

    Nicola Marzari

    Fundamentals of Wannier functions (Part 1) (corrupted video, good audio)

    Watched 1144 times.
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  • Med 000005087

    Nicola Marzari

    Fundamentals of Wannier functions (Part 2)

    Watched 1023 times.
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  • Med 000005087

    Nicola Marzari

    Fundamentals of Wannier functions (Part 3)

    Watched 853 times.
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  • Med 000005087

    Nicola Marzari

    Wannier practice (Part 1)

    Watched 1163 times.
    Public Published
  • Med 000005087

    Nicola Marzari

    Wannier practice (Part 2)

    Watched 860 times.
    Public Published