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is it possible to share your slides with us?

Great lecture. I don't know if this is something obvious but will the probability distribution of energy always be gaussian?

could you please give the reference for the potential energy surface diagram at 1:00 and 2:30 min?

Hi. There cannot be that total energy is constant, thus you cannot ignore this assumption, there is no point to ignore it in other words. What is constant is the energy of each macrostate. Thus, lnΩ or lnW should be lnW_i, where W_i is one of the macrostates. And n_k (I prefer n_j) should in reality be n_ik, where k = 0 to S-1, S is the number of energy levels. Sum(Ω_i) = Ω = (energy levels)^N

Find the ratio of N1/N2 in w(N1,N2) which be maximum. N1+N2=N? Please 🙏🏻

Thank you very much for the nice explanation!! I have one question: How do I get the P_u,i 's in the sum for the second equation (of the main ones that need to be solved self-consistently) to eventually get the whole P_u?

Many thanks! it is a great explanation of umbrella sampling method.

Please are there more videos you made on statistical THERMODYNAMICS? I have looked for them here but I couldn't find them.

You explained with respect to dihedral angle, how can we do by keeping distance as a parameter ?

Thank you so much sir, my all doubts have been solved regarding theory. Can you please share the ppt for the notes?

Is it me or does this actually relate to subject? Particle in a box model Thanks for your well produced video. Your viewers might enjoy seeing my personal amateur science project in the visual aid linked below. It uses a sheet of spring-like material buckled from the ends to form a Gaussian curve. This is to represents a two dimensional field with the ends bounded. Seeing the mechanical effect may also takes some of the mystery of what the math is showing. See the load verse deflection graph in the white paper found elsewhere on my TH-cam channel. th-cam.com/video/wrBsqiE0vG4/w-d-xo.htmlsi=waT8lY2iX-wJdjO3

very helpful ！

Please can I have the PMF script to run it on gromacs and thank you.

Congrats🎉

This is the best free energy lecture i have ever seen. Thanks a lot for your videos.

Amazing channel and lectures. Thanks for your work.

great jop

Thank you sir

Very nicely presented lecture series. Could you please share the links of either ppt or pdf of the lecture series!!!

Thank so much! The best videos !!!

Thank you for the wonderful tutorial. I have one doubt. Is pmf and binding free energy is same?

thanks, good workshop!

Excellent explanation.

Can you please make videos on BE and FD distributions? This was really helpful!

Very interesting system. It is greatly related to the course statistical physics.

could I have the presentation ?

Will you ever upload part 2!!!

thank you so much ! I hope you will do a video to demonstrate that b=1/KT

Great jobs, could you share the file of configs ?

at 13.26, you wrote ensemble average in terms of q (stating integration over all coordinates except reaction coordinate). Later at 16.33, you have rewritten the ensemble average but in terms of reaction coordinates. How in first case, ensemble average was independent of reaction coordinate and in second it is not??? It is confusing. Plz clear it.

😱 ｐｒｏｍｏｓｍ

😄😄😄estáis fatal, pero mola😍

Dear Professor, I have a doubt. If we know the total bias potential, then it means that we know the unbias potential too. So doesn't knowing the unbias potential make known the path connecting the end states. Also, since we are using a force field, so we know the unbias potential beforehand, right?

Thank you, professor for the amazing lecture.

Thank you, professor, for the great lectures. Can the LJ potential describe the interaction between more than two atoms, and if so, how will the profile change?

Will you organize similar workshops soon or in the future? I am interested.. I would love to receive notifications..

Incredible job and explanation! Stunning!

Thank you so much for the knowledge you are imparting. Continue posting such videos in the future.

amazing amazing! this is an easy transfer of knowledge and understanding

Superb! really nice start for MD simulations!

3:16 "and now with this biased potential we will run the MD simulation" but we don't know the unbiased potential beforehand. So how can we know the biased potential.

How did you make the topology for cis-platin? As it contains Pt...we don't get directly from prodrg.

🥲Those equations brought tears to my eyes.

Brilliant lectures. I would like to ask could I obtain the lecture file or powerpoint of this course? Thanks a lot!

Can you share the pdf ?!

I really like this work. It's amazing. ❤️

I wonder which platform or softwares combination you used to develop QM/MM EDA , could you tell me? Thanks!

Useful video..very clear explanation.. Thank you so much.. Go ahead.. 🙏

Thank you so much. Really helpful

Hello every one , It's well done , thankful to share video for all ,but is it's not easy for me to understand well because accent of language . could you please ADD English language in CC " to understand explanation as easy " or write ,, as soon as best regards