高性能计算相关资源

https://www.olcf.ornl.gov/wp-content/uploads/2010/03/AR2012_Final.pdf

early application experiences with the intel MIC Architecture

http://www.olcf.ornl.gov/wp-content/training/electronic-structure-2012/20120206-Brook-AACE-MICApps.pdf


Optimizing Tensor Contraction Expressions for Hybrid CPUGPU Execution

http://www.olcf.ornl.gov/wp-content/training/electronic-structure-2012/Krishnamoorthy-ESCMA12.pdf

https://sharepoint.campus.rwth-aachen.de/units/rz/HPC/public/Shared%20Documents/Aachen_SMP_Workshop_ScaleMP_Introduction.pdf

High Performance Computing 2013/14

http://www.transtec.de/fileadmin/Medien/pdf/HPC/HPC-Compass_2013_final_web.pdf


Modernizing the core quantum chemistry algorithms

http://lib.dr.iastate.edu/cgi/viewcontent.cgi?article=3922&context=etd

Physical modeling and high-performance GPU computing for characterization, interception, and disruption of hazardous near-Earth objects

http://lib.dr.iastate.edu/cgi/viewcontent.cgi?article=4211&context=etd

Development of high-spatial and high-mass resolution mass spectrometric imaging (MSI) and its application to the study of small metabolites and endogenous molecules of plants

http://lib.dr.iastate.edu/cgi/viewcontent.cgi?article=3585&context=etd

http://lib.dr.iastate.edu/etd/12578/


reviews in computational chemistry 

http://zh.scribd.com/doc/148049741/Reviews-in-Computational-Chemistry


Reviews in Computational Chemistry


http://onlinelibrary.wiley.com/bookseries/10.1002/SERIES6143

About this Book Series

‘ Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry’ Journal of Molecular Graphics and Modeling

Reviews in Computational Chemistry provides an ideal one-stop resource for researchers from all chemical and biochemical disciplines. Covering all areas of computational chemistry from chemoinformatics to molecular modeling, this series gives researchers a review of key developments including a historic picture of research with the access to the early volumes.

One of the top ten most frequently cited series according to the ISI’s journal citation reports, Reviews in Computational Chemistry brings together experts in the field to provide both an informative and accessible picture of the latest developments. With topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics and quantitative structure-activity relationships, the series aims to both teach the newcomer and to update the expert.

Detailed author and subject indexes help the reader discover material quickly. Chapters organized in a tutorial structure and written in a non-mathematical style allow students and researchers to access computational methods outside their immediate area of expertise.

Reviews in Computational Chemistry is a major addition for organic, inorganic, physical and analytical chemists and biochemists seeking to keep abreast of recent developments in the field.

Series Editors:

  • Prof. Kenny B. Lipkowitz,
  • Prof. Thomas R. Cundari
  • Prof. Valerie J. Gillet

Editor-Emeritus: Prof. Donald B. Boyd

More about this book series

Books in this Series

  1. Reviews in Computational Chemistry, Volume 1
  2. Reviews in Computational Chemistry, Volume 2
  3. Reviews in Computational Chemistry, Volume 3
  4. Reviews in Computational Chemistry, Volume 4
  5. Reviews in Computational Chemistry, Volume 5
  6. Reviews in Computational Chemistry, Volume 6
  7. Reviews in Computational Chemistry, Volume 7
  8. Reviews in Computational Chemistry, Volume 8
  9. Reviews in Computational Chemistry, Volume 9
  10. Reviews in Computational Chemistry, Volume 10
  11. Reviews in Computational Chemistry, Volume 11
  12. Reviews in Computational Chemistry, Volume 12
  13. Reviews in Computational Chemistry, Volume 13
  14. Reviews in Computational Chemistry, Volume 14
  15. Reviews in Computational Chemistry, Volume 15
  16. Reviews in Computational Chemistry, Volume 16
  17. Reviews in Computational Chemistry, Volume 17
  18. Reviews in Computational Chemistry, Volume 18
  19. Reviews in Computational Chemistry, Volume 19
  20. Reviews in Computational Chemistry, Volume 20
  21. Reviews in Computational Chemistry, Volume 21
  22. Reviews in Computational Chemistry, Volume 22
  23. Reviews in Computational Chemistry, Volume 23
  24. Reviews in Computational Chemistry, Volume 24
  25. Reviews in Computational Chemistry, Volume 25
  26. Reviews in Computational Chemistry, Volume 26
  27. Reviews in Computational Chemistry, Volume 27Computational ChemistryA Practical Guide for Applying Techniques to Real World Problems
    http://aevnmont.free.fr/SACH-BOOKS/Computational%20Chemistry/Young%20%20-%20Computational%20chemistry.pdf
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