Wiley Interdisciplinary Reviews: Computational Molecular Science

Cover image for Vol. 4 Issue 1

January/February 2014

Volume 4, Issue 1

Pages 1–89

  1. Issue Information

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
    1. Issue information

      Version of Record online: 18 DEC 2013 | DOI: 10.1002/wcms.1182

  2. Advanced Review

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
  3. Software Focus

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
    1. cp2k: atomistic simulations of condensed matter systems (pages 15–25)

      Jürg Hutter, Marcella Iannuzzi, Florian Schiffmann and Joost VandeVondele

      Version of Record online: 13 JUN 2013 | DOI: 10.1002/wcms.1159

      Thumbnail image of graphical abstract
    2. Newton-X: a surface-hopping program for nonadiabatic molecular dynamics (pages 26–33)

      Mario Barbatti, Matthias Ruckenbauer, Felix Plasser, Jiri Pittner, Giovanni Granucci, Maurizio Persico and Hans Lischka

      Version of Record online: 13 JUN 2013 | DOI: 10.1002/wcms.1158

      Thumbnail image of graphical abstract
  4. Advanced Reviews

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
    1. Chemoinformatics applications of cluster analysis (pages 34–48)

      John David MacCuish and Norah Elizabeth MacCuish

      Version of Record online: 20 MAY 2013 | DOI: 10.1002/wcms.1152

      Thumbnail image of graphical abstract
  5. Overview

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
  6. Advanced Review

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review

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