ESPResSo Simulation Package
ESPResSo Simulation Package
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The lattice electrokinetics method
In this lecture, we will introduce an algorithm to simulate the diffusion, advection and reaction of dilute charged species in a solvent. The corresponding electrokinetic equations will be presented and their physical interpretation highlighted. We then outline the lattice electrokinetics algorithm as implemented in ESPResSo. With this algorithm, the equations are efficiently and accurately solved on a regular grid, which also allows coupling to particle simulations. We finish with an overview of various systems which have successfully been simulated using lattice electrokinetics and ESPResSo.
CECAM Flagship School “Simulating energy materials with ESPResSo and waLBerla”, October 9-13, 2023, Institute for Computational Physics, University of Stuttgart, Germany.
Credits:
Speakers: Christoph Lohrmann, Ingo Tischler
Video editing: Paul Hohenberger
มุมมอง: 165

วีดีโอ

Introduction to multi-phase models for the lattice-Boltzmann method
มุมมอง 59511 หลายเดือนก่อน
This lecture gives a brief introduction into various modeling techniques for multi-phase and multi-component simulations within the lattice-Boltzmann framework, namely the Shan-Chen method, the color gradient method and the free-energy method. CECAM Flagship School “Simulating energy materials with ESPResSo and waLBerla”, October 9-13, 2023, Institute for Computational Physics, University of St...
Electrostatics in confinement: From charged soft matter to energy materials
มุมมอง 7511 หลายเดือนก่อน
In this talk I will introduce some basic concepts of soft matter and polymer physics before introducing charged surfaces and their description within the Poisson-Boltzmann mean-field theory. I will then show how this can be related to the electric double layer (EDL) capacitance and put related concepts in their physical context. I will introduce the concepts of anisotropic and inhomogeneous ele...
Electrostatic solvers
มุมมอง 58411 หลายเดือนก่อน
This talk introduces the Ewald sum method and the P3M method for fully periodic systems, followed by the Yeh-Berkowitz and ELC methods for partially periodic systems. Then, advanced methods for planar and curved dielectric interfaces will be presented (ICC* algorithm, ELC-IC method), as well as methods available via the ScaFaCoS library. CECAM Flagship School “Simulating energy materials with E...
Introduction to particle-based simulations
มุมมอง 46911 หลายเดือนก่อน
This lecture gives a general overview of various simulation methods used to model the dynamics of physical systems a different time-scales and length-scales, followed by a deeper dive into coarse-grained simulations: Newtonian mechanics, Lennard-Jones potential, thermodynamic ensembles, molecular dynamics integration schemes and trajectory analysis methods. CECAM Flagship School “Simulating ene...
The lattice electrokinetics method
มุมมอง 163ปีที่แล้ว
The lattice electrokinetics method
Introduction to Lattice Boltzmann Method
มุมมอง 38K3 ปีที่แล้ว
Timm Krüger is giving an introduction to lattice-Boltzmann method (LBM). LBM is a good numerical algorithm for fluid dynamics with complex boundary conditions. This talk was part of the ESPResSo Summer School 2020, a course about the ESPResSo simulation package. Institute for Computational Physics: www2.icp.uni-stuttgart.de/~icp/Main_Page ESPResSo homepage: www.espressomd.org Timm Krüger's pers...
Simulating Chemical Reactions in ESPResSo
มุมมอง 1.1K3 ปีที่แล้ว
Peter Košovan gives an introduction to the modelling of chemical reactions with ESPResSo. This talk was part of the ESPResSo Summer School 2020, a course about the Molecular Dynamics simulation package ESPResSo. Peter Košovan's homepage: lynette.natur.cuni.cz/~kosovan/ ESPResSo homepage: www.espressomd.org
Electrostatic Algorithms
มุมมอง 3.6K4 ปีที่แล้ว
Prof. Christian Holm is giving an introduction to electrostatics algorithms. This is a good starting point if you want to take advantage of the corresponding solvers implemented in ESPResSo. This talk was part of the ESPResSo Summer School 2020, a course about the ESPResSo simulation package. Institute for Computational Physics: www2.icp.uni-stuttgart.de/~icp/Main_Page ESPResSo homepage: www.es...
Molecular Modelling of Polymers
มุมมอง 2.8K4 ปีที่แล้ว
Prof. Christian Holm is talking about the modelling of polymers, an interesting application of the ESPResSo simulation package. This talk was part of the ESPResSo Summer School 2020, a course about the Molecular Dynamics simulation package ESPResSo. Institute for Computational Physics: www2.icp.uni-stuttgart.de/~icp/Main_Page ESPResSo homepage: www.espressomd.org
Introduction to Charged Soft Matter
มุมมอง 6454 ปีที่แล้ว
Alexander Schlaich gives an introduction to charged soft matter, one of the signature application fields of the ESPResSo simulation package. This talk was part of the ESPResSo Summer School 2020, a course about the Molecular Dynamics simulation package ESPResSo. Alexander Schlaich's home page: schlaich-online.de ESPResSo homepage: www.espressomd.org
Introduction to Ferrofluids
มุมมอง 7124 ปีที่แล้ว
Patrick Kreissl gives an introduction to ferrofluids, which are an interesting application for the ESPResSo simulation package. This talk was part of the ESPResSo Summer School 2020. ESPResSo homepage: www.espressomd.org
Managing Simulation Data
มุมมอง 3204 ปีที่แล้ว
Rudolf Weeber is talking about good practices to manage simulation data. This talk was part of the ESPResSo Summer School 2020, a course about the Molecular Dynamics simulation package ESPResSo. Rudolf Weeber: www2.icp.uni-stuttgart.de/~icp/Rudolf_Weeber ESPResSo homepage: www.espressomd.org
Introduction to ESPResSo
มุมมอง 1.5K4 ปีที่แล้ว
Kai Szuttor gives an introduction to the ESPResSo simulation package. He presents a series of examples for research done with ESPResSo. This talk was part of the ESPResSo Summer School 2020. ESPResSo homepage: www.espressomd.org
Error Estimation in Time-Correlated Data
มุมมอง 3374 ปีที่แล้ว
Jean-Noël Grad is talking about error estimation in time-correlated data. This is a relatively detailed overview over the topic. Take it as a starting point to dig deeper. E.g. the binning analysis at 9:29 is a good starting point for error estimation. This talk was part of the ESPResSo Summer School 2020, a course about the Molecular Dynamics simulation package ESPResSo. ESPResSo homepage: www...

ความคิดเห็น

  • @VedanthB9
    @VedanthB9 10 วันที่ผ่านมา

    This is the best lecture on LBM on TH-cam. It explains every single concept in sufficient detail. Thanks to Prof. Krüger for his exposition.

  • @jamonjamonjamon
    @jamonjamonjamon 3 หลายเดือนก่อน

    Does anyone has the refence of the book mentioned at 11:09, (Smith) ?

  • @arannaaranna9135
    @arannaaranna9135 6 หลายเดือนก่อน

    I have a keen interest on this topic

  • @knip-pink
    @knip-pink 7 หลายเดือนก่อน

    I always heard of the Vortex Lattice Method (VLM) and never really about LBM.

  • @hu5116
    @hu5116 9 หลายเดือนก่อน

    Hi Timm: I tried to go to the esspressomd web page given in the sidebar but it came back with a warning that the connection is not private (in other words, danger, you could be hacked!). Perhaps you could reach out to them to ask them to secure their web site. I’m not going to go there until that is fixed ;-(

  • @voiceofsoul51214
    @voiceofsoul51214 11 หลายเดือนก่อน

    Please make video on laser plasma interaction in vsim

  • @Shima-n3i
    @Shima-n3i ปีที่แล้ว

    Thank you. It was a great help for me.

  • @QuantumBeatsLab
    @QuantumBeatsLab ปีที่แล้ว

    WHRERE CAN I find the devivations of all those boundary conditions?

  • @pinsonraphael4873
    @pinsonraphael4873 ปีที่แล้ว

    As an amateur python programmer with an interest in fluid models this has been very helpful, thank you!

  • @zifengli724
    @zifengli724 ปีที่แล้ว

    In fact, openFOAM can also implement linear or even superlinear acceleration on computing clusters

  • @victorvolle6462
    @victorvolle6462 ปีที่แล้ว

    Best explanation of Lattice-Boltzmann I have seen, yet. I have rather little physics and mathematics background, but since you describe each term in its _meaning_ and sometime repeat that, it was much easier to follow than anything I have seen yet. (I am just interested in writing a watercolor simulation and have a software engineering background. Even trying to understand existing code (C++, Python, Java, Swift) is quite difficult, when you do not understand the model and the funny variable names like ‘rho’ they are using)

  • @flightofone
    @flightofone ปีที่แล้ว

    The appears to be a graphical error on slide 8, in that the blue and red splits don't add up graphically to the original. The red point charge lines should not extend below the horizontal line.

  • @mathematicsscholar118
    @mathematicsscholar118 ปีที่แล้ว

    the excellent lecture which clears many key points

  • @JK12345-z
    @JK12345-z 2 ปีที่แล้ว

    is the metallic boundary condition also known as the tin foil boundary condition?

  • @donimic9276
    @donimic9276 2 ปีที่แล้ว

    How to get page 9 from page 8 ?

  • @sudeephalder5077
    @sudeephalder5077 2 ปีที่แล้ว

    Sir , I have a request. Can you please show the procedure of whole calculation using explicitly the same approach shown here for any of the lattice , either one dim ( three lattice site) or two dimension ( 9 lattice sites) for a few iterations..Please sir , even if you suggest me any paper or book where I can find it exactly ( the whole calculation ) , it will really be helpful . ...

  • @sudeephalder8792
    @sudeephalder8792 2 ปีที่แล้ว

    Kindly tell me the way of calculating weighting factor (w)...

    • @joselebousier2927
      @joselebousier2927 2 ปีที่แล้ว

      I don't know why he didn't show it, probably because it was very introductory. Anyway, for the D2Q9 speed discretization, the weights are : 4/9 for the "0" speed, 1/9 for the speeds that move to one of the four adjacent cells, and 1/36 for the speeds that move to one of the four diagonal cells. Using the same writing order as he uses for the vector c, your vector w should be w = (4/9, 1/9, 1/9, 1/9, 1/9, 1/36, 1/36, 1/36, 1/36).

  • @shahryarhabibi7187
    @shahryarhabibi7187 2 ปีที่แล้ว

    Nice!

  • @edwinrobert3507
    @edwinrobert3507 2 ปีที่แล้ว

    Can you demonstrate step by step?

  • @EarlWallaceNYC
    @EarlWallaceNYC 2 ปีที่แล้ว

    Excellent introduction. As a know-comer to LBM this answered many of my questions. Thank you.

  • @zhangjk4495
    @zhangjk4495 2 ปีที่แล้ว

    太牛逼了

  • @gertlindner4140
    @gertlindner4140 2 ปีที่แล้ว

    A lecture in which a great deal of knowledge was imparted. Thanks

  • @mariochiaparini5807
    @mariochiaparini5807 2 ปีที่แล้ว

    Great class professor, do you have LinkedIn? I am modelling a biopolymer made from bacterias and I would like to know if you can help me in some doubts.

  • @chriss3423
    @chriss3423 2 ปีที่แล้ว

    considering the duration it was very well structured and detailed. I will most definitely recommend this to a few colleagues of mine.

  • @moumita2886
    @moumita2886 2 ปีที่แล้ว

    Wonderful and very beneficial introductory lecture by Timm Krüger. His explanations helped me to clear my small-small doubts. I would like to listen more lectures on LBM from Timm Krüger.

  • @suparapperboy5
    @suparapperboy5 2 ปีที่แล้ว

    Excellent introductory lecture, thank you very much to Timm Krüger.

    • @SolidBuildersInc
      @SolidBuildersInc 2 ปีที่แล้ว

      This has been a very helpful from using the Navier Stokes to being able to actually get a handle on Molecular Dynamics with the Boltzmann equation. This is very encouraging in reducing CO2 emissions in my view.

  • @rahulkumar-zx7li
    @rahulkumar-zx7li 2 ปีที่แล้ว

    Very well explained

  • @jacksteven2663
    @jacksteven2663 3 ปีที่แล้ว

    Thank you for the excellent video, Is it possible to have access to 2020 school videos? Because I just started my Ph.D. and want to go with espresso in my work, I'd appreciate having some school videos. Thanks

  • @sriharivaila7276
    @sriharivaila7276 3 ปีที่แล้ว

    Usefull lecture

  • @juandiegofigueroahernandez7516
    @juandiegofigueroahernandez7516 3 ปีที่แล้ว

    That was great

  • @yechannoh4183
    @yechannoh4183 3 ปีที่แล้ว

    Thanks for great presentation I really appreciate it.

  • @not_a_gamer7325
    @not_a_gamer7325 3 ปีที่แล้ว

    28:23 i didn't get the unit of temperature (CC says "unit 18") anyone?

  • @not_a_gamer7325
    @not_a_gamer7325 3 ปีที่แล้ว

    Sir, can I get any interactive Reaction ensemble notebook.. since it is not available on GitHub e.g. doc/tutorials/12-constant_pH/ 12-constant_pH.ipynb