Skip to content

Data repository for "Computing chemical potentials of solutions from structure factors"

Notifications You must be signed in to change notification settings

BingqingCheng/S0

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

2 Commits
 
 
 
 
 
 
 
 

Repository files navigation

S0

Data repository for "Computing chemical potentials of solutions from structure factors"

Python script and notebook for computing structure factors and getting chemical potentials

MD input files for binary LJ and NaCl/water (JC/SPC/E forcefield). MD input for high-P C/H is provided in https://github.com/BingqingCheng/highp-ch .

About

Data repository for "Computing chemical potentials of solutions from structure factors"

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published