Ashfaq Adnan's blog
Natural Frequencies for all elements in the Periodic table.
Hi,
I am interested to know the natural frequencies of elements in the periodic table. I made some attempt to reveal this information but surprisingly ended with nothing. Perhaps I did not search hard. Does anyone know about the natural frequencies of elements in periodic table.
Sincerely,
-Ashfaq Adnan
Doctoral Candidate, School of Aero and Astro, Purdue University, Indiana
Why larger time step is not allowed in Molecular Dynamics Simulation?
Hi,
I am trying to understand why MD simulation crashes if larger time step (~100 fs) is applied to integrate the equation of motion. I know that there are two major things play role in solving F = ma and obtaining equilibrium solution. One is the accuracy, and the other is numerical stability of the integration algorithm.