search

ubsuny / 23-Homework7G4

Molecular Simulation - Equilibrium Configurations of Na₄Cl₄ Tetramers: This repository contains code and analysis for a computational physics homework assignment focused on simulating and determining the equilibrium configurations of Na₄Cl₄ clusters for tetramers (n=4).
https://github.com/ubsuny/23-Homework7G4
MIT License
2 stars 8 forks source link

Structure of Tetramer Configuration #24

Closed pratibha77118 closed 1 year ago

pratibha77118 commented 1 year ago

Hi all, Do we have to know the structure of tetramer configurations and search for the position of Na and Cl ion to be used for optimization. For different structure, what is the difference that we have to do to implement the code. Paper shows that the binding energy per ions for given configurations are different, so how we approach to get that value?

reshnashrestha commented 1 year ago

Knowing the name might not be mandatory but if we know the names it can be efficient to perform tasks.