HPMC with implicit depletant

[Xuan Feng]

Hi all,

I used the HPMC with implicit depletan and also read the relative article "A parallel algorithm for implicit depletant simulations". I think it's a great algorithm but I have some questions:

In the article, they say "However, when there is more than one depletant in the excluded volume shell around the colloid particle on average, moves will be rejected most of the time. Equilibration of colloids in very dense depletant systems is therefore difficult", so they introduce the configarational bias. But when I used HOOMD to simulate a anisotropic hard-particle system with high depletant fugacity, the assembly of large particle can occur successfully and quickly withou using configurational bias moves.

I tried to write a simulation code with depletant, but the large particle cannot move if I don't use the configuratinal bias.The assembly is still very slow  if I use the configurational bias. Is there any trick?

I tried to read the code of depletant part but I'm not very familiar with cuda. So I cannot understand the process. Looking forward to a replying.

Regards,

Feng Xuan

[Joshua Anderson]

Feng,

The author of the implicit depletant algorithm rewrote it several times after publication. The implementation in code does not match that in the paper. I am not aware of the details, you should contact the first author of that paper directly.

------

Joshua A. Anderson, Ph.D.

Research Area Specialist, Chemical Engineering, University of Michigan

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[Xuan Feng]

Hi Anderson,

I get it. Thanks very much!

Regards,

Feng Xuan

Joshua Anderson <joaa...@umich.edu> 于2023年10月19日周四 20:52写道：

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