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13 votes

What are some common techniques for building multiscale models for materials?

I would limit my answer to the situation where you have only two scales in your system. For more complicated problems, it's easy to generalize the concept provided here. Usually, the computational ...
Mithridates the Great's user avatar
13 votes

What are some common techniques for building multiscale models for materials?

One example of multi-scale modeling in materials modeling is coarse-grain modeling In these examples larger systems can be studied in a more efficient way by treating clusters of atoms, often ...
Cody Aldaz's user avatar
  • 8,017
7 votes

To what extent can coarse-grained models retain the essential quantum mechanical characteristics of a system?

Generally, in multi-scale modelling, QM characteristics are irrelevant. Most of the processes that we study for these multi-scale modelling are thermodynamics driven. So, I will be very surprised if ...
Roshan Shrestha's user avatar
6 votes

Scales for simulation

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 ...
Camps's user avatar
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3 votes

Scales for simulation

I have found another reference in addition to what Camps has supplied. Steinhauser, Martin Oliver. Computational multiscale modeling of fluids and solids. Berlin: Springer, 2017. Chapter 1 (...
user366312's user avatar
  • 2,546
2 votes

What does it mean by "scale mismatch" and "bridging of scales"?

Multi-scale modelling refers to the modelling of a physical problems which involves the description of different time or space-scales. Think for example to the modelling of nonequilibrium dynamics of ...
Davide Sangalli's user avatar
1 vote

Understanding use of Machine Learning in Multiscale Enhanced Sampling

Since this is not an active problem for the researcher anymore, I'm removing it from the unanswered queue, but if anyone wants to write another answer, please just comment here and I will remove this ...

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