- #1
mic*
- 99
- 11
Hi all. Does anyone here have any experience modelling graphitic materials using DFT based software (eg VASP)?
I am looking to utilise some simulation results in conjunction with applied research on these materials. The focus is really the applied stuff, and I have very little background in comp-chem.
I was hoping I might be able to get some advice and/or ideas on where to start with software, associated libraries, and other resources.
Cheers.
I am looking to utilise some simulation results in conjunction with applied research on these materials. The focus is really the applied stuff, and I have very little background in comp-chem.
I was hoping I might be able to get some advice and/or ideas on where to start with software, associated libraries, and other resources.
Cheers.