Skip to content

moradza/VOTCA_CRE

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

3 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

The work in this study is performed independent of VOTCA group. Please cite the following paper,

*_Coarse-Grained Force Field for Imidazolium-Based Ionic Liquids. A. Moradzadeh, M.H. Motevaselian, S.Y. Mashayak, and N.R. Aluru, J. Chem. Theory Comput., 2018, 14 (6), pp 3252–3261.

About

Constrained Relative Entropy for Charge Optimization and Lagrange Multiplier for Constrained Optimization

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

 
 
 

Contributors