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I am looking for literature on various scales (time, length, etc.) in atomistic or molecular simulation.

So far I have found bits and pieces here and there. E.g. this is one of them. However, this is not a citable reference.

I am looking for a research article or a book chapter dedicated to this topic.

Can you supply me with one or more references?

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  • $\begingroup$ Are not good the reference used there? "More information on Multiscale molecular modelling can be found in: Scocchi et al., J. Phys. Chem. B, (2007), 111, 2143.; Toth R., Santese F., Pereira S.P., Romero-Nieto D., Pricl S., Fermeglia M., Posocco, Journal of Materials Chemistry, 22, 5398-5409 (2012) .; Pereira S.P, Scocchi G., Toth R., Posocco P., Romero-Nieto D., Pricl S., Fermeglia M., Journal of Multiscale Modeling, 3:151-176 (2012) ." $\endgroup$
    – Camps
    Jul 4, 2022 at 11:45
  • $\begingroup$ @Camps, As I already wrote - So far I have found bits and pieces here and there. ... ... ... I am looking for a research article or a book chapter dedicated to this topic. $\endgroup$
    – user366312
    Jul 4, 2022 at 11:52
  • $\begingroup$ Take a look here. $\endgroup$
    – Camps
    Jul 4, 2022 at 12:14
  • $\begingroup$ You might find this upcoming CECAM workshop interesting. cecam.org/workshop-details/1119. As an aside - check out the references they list. $\endgroup$
    – B. Kelly
    Jul 4, 2022 at 14:27

2 Answers 2

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Multiscale Simulation Methods in Molecular Sciences

Edited by Johannes Grotendorst
Norbert Attig
Stefan Blügel
Dominik Marx

Winter School, 2 - 6 March 2009
Forschungszentrum Jülich, Germany
Lecture Notes

Summary:

  • Methodological Foundations
  • Multiscale Simulation Methods for Solids and Material
  • Multiscale Simulation Methods for Soft Matter and Biological Systems
  • Numerical Methods and Parallel Computing

Download link: https://juser.fz-juelich.de/record/3737/files/nic-series-volume42.pdf

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I have found another reference in addition to what Camps has supplied.

Chapter 1 (Introduction) of this book gives a moderately well coverage of time and length scales for modeling and simulation.

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  • $\begingroup$ why would you select your answer which has one source, over someone elses who tried to help and gave several sources? $\endgroup$
    – B. Kelly
    Jul 7, 2022 at 13:09
  • $\begingroup$ @B.Kelly, Okay, I deselected my answer. However, the answer to your question is - please read both resources, and you will realize it for yourself. $\endgroup$
    – user366312
    Jul 7, 2022 at 13:19
  • $\begingroup$ it is pretty solid, I may have to buy that one $\endgroup$
    – B. Kelly
    Jul 7, 2022 at 16:28

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