25. Statistical Foundation for Molecular Dynamics Simulation

[@DDDelgado]

55:00 interesting to see that molecular dynamics could be applied to electrochemistry. In particular to electrochemical impedance, where you vary the electric field and measure a response.

[@DDDelgado]

Well completed the whole playlist, learnt lots. Althought I am not a mathematician, the concepts i learnt are good for my research, i will be able to communicate better with computational guys doing research in parallel to what i do.

[@ThiagoBenazziMaia]

Lot of information for one hour class. Very good

[@wenusarasatheekshana1738]

It is comfortable to follow chapter 10 of "Nanoscale Energy Transport and Conversion..." (the reference) to build the logical/mathematical view.

[@ehosseinnn]

6:45 accuracy is wrong. This is central finite difference using three data points and therefore accuracy should be O(dt^2) NOT O (dt^4)

[@paulinchan9653]

No, the accuracy is right, which is easy to check by Taylor series expansion of r(t+dt) and r(t-dt) at r(t) (with an addition of these two expansions). The typo here is the coefficient associated with the denominator, namely dt^2 rather than 2dt^2.

[@ehosseinnn]

@@paulinchan9653 Thanks but check this table and the column with accuracy: en.wikipedia.org/wiki/Finite_difference_coefficient You will see what I mean. Let me know what you think

[@plz7980]

@Ehsan Hosseinian I agree. And the formula must be {r(t+dt)+r(t-dt)-2r(t)}/(dt^2), not 2(dt^2). Isn't it?

[@26d8]

@@ehosseinnn dargiriye olama ;)

[@queenshow]

Thanks!

[@Novak2611]

0:17:37 so the use of integral is because we don't know if A(r(t),p(t)) is continuous right ?

[@DDDelgado]

what?, you integrate to work out the property that you want, considering particles, the whole thing should be continuous, a particle cannot jump from a place to another.

[@mihaleben6051]

Bro used every branch of math and physics💀

[@qianzhang2031]

中国口音，一听便知~~~

[@전힐러]

Hi

[@nabin9436]

very helpful!!! thanks gang! @ frankfurt, let me laugh at you! hahahahaha go to the classical physics classes, you don´t belong to MD class!!