As of May 31, 2023, we have updated our Code of Conduct.

Questions tagged [multiscale-modeling]

Questions pertaining to multiscale phenomena in materials modeling.

Filter by
Sorted by
Tagged with
4 votes
2 answers
136 views

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

As far as I understood, molecular simulation works in two types of scales: temporal scale - how much time is required to simulate the model. spatial scale - how much memory-space is required to ...
user366312's user avatar
  • 1,759
1 vote
0 answers
51 views

What would the items look like if we put them on a length scale? [closed]

The following table is taken from page#434 of the book Schlick, Tamar. Molecular modeling and simulation: an interdisciplinary guide. Vol. 2. New York: Springer, 2010. What would the same items ...
user366312's user avatar
  • 1,759
5 votes
2 answers
268 views

Scales for simulation

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 ...
user366312's user avatar
  • 1,759
4 votes
0 answers
95 views

Understanding use of Machine Learning in Multiscale Enhanced Sampling

Multiscale Enhanced Sampling Using Machine Learning Multiscale enhanced sampling (MSES) allows for enhanced sampling of all-atom protein structures by coupling with the accelerated dynamics of the ...
user366312's user avatar
  • 1,759
19 votes
2 answers
101 views

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

Most, if not all, material systems are multiscale in nature that are described by different physics at different length and time scales, ranging from density functional theory (DFT) to phase field ...
edwinksl's user avatar
  • 929