Molecular Simulation

  • Thread starter raintrek
  • Start date
  • #1
75
0
Hey all, I'm looking for some suggestions on topics concerning Molecular Simulation which I can research. I've been tasked with giving a talk and writing a report on one specific topic of this field but I'm unsure what to specialise in. Any and all advise and suggestions would be appreciated!!
 

Answers and Replies

  • #2
olgranpappy
Homework Helper
1,271
3
you could give a report on quantum chemistry codes for calculating the electronic structure of molecules. E.g., ABINIT, with which you can calculate stuff like the equilibrium bond lengths in molecules. see:

http://www.abinit.org/
 

Related Threads on Molecular Simulation

  • Last Post
Replies
2
Views
2K
  • Last Post
Replies
5
Views
2K
  • Last Post
Replies
13
Views
2K
  • Last Post
Replies
1
Views
671
  • Last Post
Replies
3
Views
3K
  • Last Post
Replies
10
Views
5K
  • Last Post
Replies
14
Views
4K
  • Last Post
Replies
2
Views
624
  • Last Post
Replies
1
Views
817
Replies
6
Views
1K
R
Top