MD Simulators
MD Simulators
  • Видео 3
  • Просмотров 140 229
Molecular Dynamics on GPU
In this video I give a brief introduction on running molecular dynamics simulations on GPU.
Просмотров: 7 778

Видео

Molecular Dynamics in 5 Minutes
Просмотров 109 тыс.6 лет назад
This is a 5 minutes introduction to molecular dynamics simulation. Tools to generate initial state for your system: - LAMMPS lattice command: This command creates a 2D or 3D lattice. It supports a number of lattice types.
Introduction to LAMMPS
Просмотров 23 тыс.6 лет назад
In this video I give a short introduction to the LAMMPS simulation package. I will explain how LAMMPS can help you to run your molecular dynamics simulations faster and easier. I will also run a simple simulation with LAMMPS. The example LAMMPS input file can be found here: github.com/sbrnaderi/LAMMPS_tutorials

Комментарии

  • @mariavoreis2023
    @mariavoreis2023 2 месяца назад

    This was so helpful, thank you!

  • @easyhack5859
    @easyhack5859 2 месяца назад

    Wonderful

  • @Korento
    @Korento 3 месяца назад

    Very concise and useful. Thank you, sir!

  • @Proactive_nuel
    @Proactive_nuel 5 месяцев назад

    please could you post more videos?

  • @Proactive_nuel
    @Proactive_nuel 5 месяцев назад

    Thank you for this video, you explained it so well. I want to know more about MD simulations

  • @peaguas629
    @peaguas629 9 месяцев назад

    why do you sound brasileiro?

  • @hyvaihminen
    @hyvaihminen 10 месяцев назад

    thanks im professor now

  • @SujithSNair-te1nl
    @SujithSNair-te1nl Год назад

    simple and excellent presentation !!

  • @rezakhoramin2657
    @rezakhoramin2657 Год назад

    Thank you for your video. I would like you to simulate the CO2 capture

  • @WaqarAhmed-bt5pu
    @WaqarAhmed-bt5pu Год назад

    Nice explanation of MD. Create videos on VASP for beginners.

  • @imago6116
    @imago6116 Год назад

    Wish you posted more videos about it. You are a great teacher!

  • @metallurgyNPTELIITM
    @metallurgyNPTELIITM Год назад

    ruclips.net/video/WA2H8taqbqs/видео.html

  • @kelvin9609
    @kelvin9609 Год назад

    How can I write molecular dynamics code

  • @kelvin9609
    @kelvin9609 Год назад

    Please can someone help teach me how to use this with lammps

  • @akapor9662
    @akapor9662 Год назад

    Superb

  • @mosta5
    @mosta5 2 года назад

    Great explanation man, why did yoy stop posting in this channel ?

  • @ShaggyChinoo
    @ShaggyChinoo 2 года назад

    thank you.Iis this software run on mabcook ?

  • @ahmadnurulfahri6533
    @ahmadnurulfahri6533 2 года назад

    Thank you

  • @agnidhragain
    @agnidhragain 2 года назад

    Thank you so much for explaining for the beginners. It was so understandable!

  • @salsh7987
    @salsh7987 2 года назад

    Well presented

  • @kritialam9404
    @kritialam9404 2 года назад

    Great one man

  • @abcd-gp6is
    @abcd-gp6is 2 года назад

    Thank you ❤️

  • @yongfengding2603
    @yongfengding2603 2 года назад

    thanks for the introduction.

  • @tasawoufali9980
    @tasawoufali9980 2 года назад

    didn,t get the idea of potential<>

  • @ashwinshetty1598
    @ashwinshetty1598 2 года назад

    Hi, can you recommend MDS softwares with MM2 for simulation of bonding of chemical compounds of interest with the stationary phase for chromatographic analysis

  • @LaudvekkysGrooveLab
    @LaudvekkysGrooveLab 2 года назад

    CAN YOU MAKE A VIDEO ON A STATISTICAL THERMODYNAMICS SIMULATION PACKAGE?

  • @oswaldojoseerazopuentes8426
    @oswaldojoseerazopuentes8426 3 года назад

    Very nice explanation. I really enjoyed it!

  • @cocoslover100
    @cocoslover100 3 года назад

    Simple and clear

  • @saikatdas4843
    @saikatdas4843 3 года назад

    I have a gpu gtx 1650super..turing 116.. Can i use this?

  • @НодирбекИброхимов-щ2х

    Hello sir, How to create an imput file in the lammps program of a multi-atom cluster? For example Co. Many thanks!

  • @avinashshindeable
    @avinashshindeable 3 года назад

    Sir, can you help me for modeling of composite material

  • @feelpassion1
    @feelpassion1 3 года назад

    Thank you for your lectures I hear that there is a small gap between the result of cpu and gpu. What do you think about that?

  • @اشرفالجرموزي-ي6ث
    @اشرفالجرموزي-ي6ث 3 года назад

    Hello sir; where can I download this program ?

  • @nehamathur9741
    @nehamathur9741 3 года назад

    Hello Sir! I want to simulate the nucleic acid chain, Will you please tell me how the input script will be changed?

  • @abhishekanand4164
    @abhishekanand4164 4 года назад

    Kindly explain more simmulations on LAMMPS. There is almost negligible resources available online

  • @abhishekanand4164
    @abhishekanand4164 4 года назад

    What about next videos

  • @kalsoomjan8516
    @kalsoomjan8516 4 года назад

    Please run a program

  • @bayezidhtanu2907
    @bayezidhtanu2907 4 года назад

    I have gone through the LAMMPS website and also many other YT videos but I am super confused about it, I mean installing it on Linux CentOS 6. Can you make a video about it (installing it on CentOs 6), please? That would be really helpful for me.

  • @realarfin.raihan134
    @realarfin.raihan134 4 года назад

    So informative and helpful for the hesitant beginners...

  • @jbsvlogs7513
    @jbsvlogs7513 4 года назад

    Very helpful.

  • @huheborjikhan6034
    @huheborjikhan6034 4 года назад

    great job, thx I have a question, how to chose the time step. How to check collision ... Thx again

  • @LokendraSD
    @LokendraSD 4 года назад

    Please make more LAMMPS tutorials. More rigorous videos that explain the concepts thoroughly.

  • @Sugbaable
    @Sugbaable 4 года назад

    Great video! Thank you

  • @swapnilbhavsar7188
    @swapnilbhavsar7188 4 года назад

    Thanks for the explanation! As I am a beginner in MD Simulations, I wanted someone to recommend me an MD Software that I can use. Freeware would be more preferred

    • @mdsimulators5475
      @mdsimulators5475 4 года назад

      Thanks for your message. For MD simulations LAMMPS and Gromacs are both good software (depending on the application one can be better than the other). They are both open source and free as well. I have another video where I explain how to start a simulation with LAMMPS.

    • @lazher2
      @lazher2 3 года назад

      @@mdsimulators5475 What about Castep software and Ansys software ?

  • @adnanwaqas5932
    @adnanwaqas5932 4 года назад

    Hello Sir, Can you please explain how to create a data file for lammps?

  • @adnanwaqas5932
    @adnanwaqas5932 4 года назад

    thank you very much for this tutorial. I am wondering for phase separation molecular dynamics simulations. If you have any tutorials related to phase separation simulations including materials ethanol, butanol, isooctane etc, please share with me.

  • @jonathanwoolloff2300
    @jonathanwoolloff2300 4 года назад

    Thanks for explaining so clearly

  • @sudarshanlamichhane9303
    @sudarshanlamichhane9303 4 года назад

    thank you

  • @aurelioantoniovivasmeza956
    @aurelioantoniovivasmeza956 4 года назад

    Congratulations, I have been spent a half of my master degree looking for a video like this !!!!

    • @jovanbebis6888
      @jovanbebis6888 3 года назад

      whats ur study???

    • @aurelioantoniovivasmeza956
      @aurelioantoniovivasmeza956 3 года назад

      @@jovanbebis6888 Computers science with focus in high performance computing

    • @jovanbebis6888
      @jovanbebis6888 3 года назад

      @@aurelioantoniovivasmeza956 did u know about thin film deposition using MD simulations?

    • @aurelioantoniovivasmeza956
      @aurelioantoniovivasmeza956 3 года назад

      @@jovanbebis6888 Not realy, I am just suppoting the parallel execution of MD simulations in HPC clusters.

  • @ranam
    @ranam 4 года назад

    Can I simulate hydrogen plus oxygen gives water products to reactants with only telling number of Hydrogen atoms and oxygen atoms where the equations satisfy scrodinger equation so the reactants will give this product for checking every chemical equations without memorizing the equations please tell me if IAM wrong simply can I check the chemical equations even the sulphuric acid preparation reactions or uranium reactions or just combine two atoms and can I tell their products