Recommendations for further reading

• General Introduction to Theory and Methods
  
  Jorge Kohanoff, ``Electronic Structure Calculation for Solids and Molecules'',
  Cambridge University Press, 2006, ISBN-13 978-0-521-81591-8
  http://www.cambridge.org/9780521815918
• General introduction to Car-Parrinello simulation
  
  D. Marx and J. Hutter, ``Modern Methods and Algorithms of Quantum Chemistry'',
  Forschungszentrum Jülich, NIC Series, Vol. 1 (2000), 301-449
  http://www.fz-juelich.de/nic-series/Volume3/marx.pdf
  W. Andreoni and A. Curioni,
  ``New Advances in Chemistry and Material Science with CPMD and Parallel Computing'',
  Parallel Computing, 26 (2000) 819.
• Electronic Structure Theory
  
  Richard M. Martin, "Electronic Structure: Basic Theory and Practical Methods'",
  Cambridge University Press, 2004, ISBN-13: 978-0-521-78285-2
  http://electronicstructure.org
• General overview about quantum simulation techniques
  
  J. Grotendorst, D. Marx, and A. Muramatsu, Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms, (John von Neumann Institute for Computing, Forschungszentrum Jülich 2002);
  Printed Version: ISBN 3-00-009057-6
  Electronic Version: http://www.fz-juelich.de/nic-series/volume10/
  Audio-Visual Version: http://www.fz-juelich.de/video/wsqs/

• Molecular dynamics simulation
  
  M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1987; reprinted 1990).
  D. Frenkel and B. Smit, Understanding Molecular Simulation - From Algorithms to Applications (Academic Press, San Diego, 1996).
  M. E. Tuckerman and G. J. Martyna, J. Phys. Chem. B 104 (2000), 159

• Pseudopotentials
  http://www.pci.unizh.ch/gruppe.hutter/e/information/pplib.tar.gz http://www.cpmd.org/cpmd_download.html
  http://cvs.berlios.de/cgi-bin/viewcvs.cgi/cp2k/potentials/Goedecker/cpmd/ http://www.fhi-berlin.mpg.de/th/fhi98md/fhi98PP/
  http://www.physics.rutgers.edu/~dhv/uspp/
  http://www.pwscf.org/pseudo.htm

• Parallelization & Performance
  J. Hutter and A. Curioni, Parallel Computing 31, 1 (2005).
  J. Hutter and A. Curioni, ChemPhysChem 6, 1788-1793 (2005).
  C. Bekas and A.Curioni, Parallel Computing 34, 441-450 (2008).