Hi researcher!
Hope that you are fine.
Is to possible to simulate Molecular Dynamics of Laser-Material Interaction in Matlab? If yes, then is there any guideline for these type of simulation? and which module in Matlab I need to use?
Please let me know.
Regards.
Dear Muhammad Arif Mahmood, I do not have direct experience on the aforementioned field you have mentioned, however, let's see what I can do, how I can be of any help.
During my master of science degree, I have studied molecular dynamics. Molecular dynamics is classically based on Newton's idea of mechanics; as you may know, later it was correct by quantum mechanics. Some new algorithms try to incorporate quantum mechanics effect. My answer is that most likely you can use molecular dynamics for simulating laser material interaction. I am assuming herein that laser is a light beam, that is, you must apply quantum mechanics.
The core question: can we make use of Matlab for that?
Honestly, I have not seen people using Matlab for molecular dynamics due its relative complexity, in general, the calculations are overwhelming and Matlab is not the best for those kind of calculations.
For instance, in my master of science we have used a super-computer. I remember well that even for a small number of particles I could no longer use my home computer, which was not the worse you could find.
If you have a package on Matlab that runs molecular dynamics with quantum effects, why not? otherwise, maybe you could find another language with material already done, it could save you time. If you have the time and knowledge to program, you can do anything in Matlab, but remember that if you need to use a super-computer, most of them are programmed in simpler languages such as C.
I hope that help somehow,
Best regards,
Jorge,
Dear Muhammad Arif Mahmood
Happy to see we studied at the same University.
First of all, briefly, I can tell you please dont waste your time with MATLAB. The basic of MATLAB is base on matrix operation, and proper for continuum phenomena while molecular dynamics simulation (MD) is a discreet phenomenon.
You can implement MD in matlab, but it isn't efficiency and just can model small number of atoms.
Well, why you dont use LAMMPS software , free, effective and perfect for Laser-Materiel interaction simulation (Actually for all MD simulations).
Good news: you can call LAMMPS in MATLAB easily if needed.
Please feel free to ask more details if needed.
In NCKU University, Prof. Wen Dung Hsu in materials science and engineering department has LAMMPS on super computer. I can link you to him if needed.
Regards,
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