Gianmarc Grazioli
Gianmarc Grazioli
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The Canonical Ensemble: a derivation using a 4 spin system
The Canonical Ensemble is an important concept in statistical mechanics. By knowing the partition function for a canonical ensemble of a particular system, one can calculate the probability of any energetic state for that system, as well as many thermodynamic properties, such as the Helmholtz free energy, entropy, internal energy, and specific heat.
0:00 - introduction
0:54 - prerequisite video: negative absolute temperature
1:14 - starting from coin flips
2:05 - finding the number of ways to get different configurations
3:25 - calculating probability from number of ways
3:54 - magnetic spins in a magnetic field
5:17 - microcanonical vs. canonical ensemble
6:00 - system vs. bath for the canonical ensemble
7:32 - joint probabilities of all states possible for 4 spins in a bath
9:57 - combining joint probabilities with number of ways
10:55 - the partition function using probabilities only
13:02 - the partition function using energy
15:48 - replacing joint probabilities with an energy function (Boltzmann weight)
18:34 - demonstrating the energy-based partition function on our 4 spin system
23:49 - writing the partition function for the canonical ensemble (quantum and classical)
25:42 - finding the energy-based partition function for 75% aligned spins
28:52 - relation to magnetic field strength in NMR
Переглядів: 166

Відео

Negative absolute temperature exists!
Переглядів 3164 місяці тому
Believe it or not, negative Kelvin exists, and it's not cold, it's really hot! It is an unusual way to introduce students to the field of statistical mechanics (aka statistical physics), but I feel it is a highly engaging approach to introducing this challenging topic in physical chemistry and physics. I love teaching this topic, and I hope you enjoy it too!
How to write an outline with help from ChatGPT
Переглядів 1524 місяці тому
ChatGPT is an impressive tool for writing natural sounding text, and outlines are extremely useful tools for helping you keep your writing focused. This tutorial shows an example of writing an outline using ChatGPT to get you started with a high quality first attempt at an outline that you can build out in far less time than starting from a blank page. Prompt from the video: "I am a researcher ...
5 Tips for Using ChatGPT and other Generative AI to Improve your Writing
Переглядів 2125 місяців тому
This video shares 5 tips on using AI to improve your writing that I offer my students in Chem-100W, a writing-intensive course where students learn to communicate one scientist to another. In true UA-cam fashion, the fifth one is the most fun, so make sure you watch until the end. 🙂
Quantum Mechanics for Rotational Spectroscopy
Переглядів 2545 місяців тому
This video covers the fundamental quantum mechanics necessary to fully explain the rovibrational spectrum of HCl (time stamps below). Specifically, we build up from the quantum rigid rotor and quantum harmonic oscillator, as well as calculating the transition dipole moment using spherical harmonic wavefunctions. This video is part of my Quantum Mechanics for Physical Chemistry playlist, so the ...
The Quantum Rigid Rotor
Переглядів 5315 місяців тому
At this point, you've seen how translational and vibrational motion are both quantized, but what about rotational motion? This video explains the quantum mechanics of rotations using a model called a quantum rigid rotor. This video is part of my Quantum Mechanics for Physical Chemistry playlist: ua-cam.com/play/PLNkn-soXfHf3wRQyvtc2UhfHHah73rbVq.html&si=Qqr5ar-a4iHYCKtb
The Quantum Harmonic Oscillator
Переглядів 7726 місяців тому
This video introduced the quantum harmonic oscillator, as I teach it in Chem 161B - undergraduate Physical Chemistry part 2 at San José State University. This video is part of my Quantum Mechanics for Physical Chemistry playlist: ua-cam.com/play/PLNkn-soXfHf3wRQyvtc2UhfHHah73rbVq.html&si=Qqr5ar-a4iHYCKtb This video draws heavily from: Physical Chemistry - Thermodynamics, Structure, and Change 1...
Orthonormal Basis Sets and Superposition States for the 1D Quantum Particle in a Box
Переглядів 3576 місяців тому
I created this video to follow my video "Solving the Time-dependent Schrödinger Equation for the 1D Particle in a Box," found here: ua-cam.com/video/dCfestDV3eY/v-deo.htmlsi=_AwA3B9FP9PkeDng This video is part of my Quantum Mechanics for Physical Chemistry playlist: ua-cam.com/play/PLNkn-soXfHf3wRQyvtc2UhfHHah73rbVq.html&si=Qqr5ar-a4iHYCKtb This supplemental video covers the way solutions to th...
Math Warmup for Physical Chemistry
Переглядів 5017 місяців тому
Much of physical chemistry comes down to explaining how chemistry works through the lens of physics, and that requires quite a bit of mathematics from a wide variety of sub-disciplines of mathematics! This video goes over many of these concepts, including examples of each. This video is part of my Quantum Mechanics for Physical Chemistry playlist: ua-cam.com/play/PLNkn-soXfHf3wRQyvtc2UhfHHah73r...
Quantum Mechanics of the Hydrogen Atom
Переглядів 3,3 тис.7 місяців тому
This video gives an overview of some of the different quantum mechanical descriptions of the hydrogen atom that have been developed over the years, especially the Bohr atom, and solving the Schrödinger equation to get the wavefunctions and resulting probability density functions for the electron in a hydrogen atom. This video is part of my Quantum Mechanics for Physical Chemistry playlist: ua-c...
Grazioli Research Group "Tapas Talk" (5 minute overview of our work)
Переглядів 64Рік тому
Grazioli Research Group "Tapas Talk" (5 minute overview of our work)
Solving the Time-dependent Schrödinger Equation for the 1D Particle in a Box
Переглядів 4,6 тис.Рік тому
Solving the Time-dependent Schrödinger Equation for the 1D Particle in a Box
ChatGPT in a writing course? Absolutely, but beware!
Переглядів 153Рік тому
ChatGPT in a writing course? Absolutely, but beware!
Introductory TURBOMOLE demonstration by Dr. Saswata Roy
Переглядів 9232 роки тому
Introductory TURBOMOLE demonstration by Dr. Saswata Roy
Grazioli Research Group - Frequently Asked Questions
Переглядів 2062 роки тому
Grazioli Research Group - Frequently Asked Questions
Grazioli Research Group - Overview of Topics
Переглядів 5052 роки тому
Grazioli Research Group - Overview of Topics
Running Autodock Vina through Chimera (supplement to another tutorial linked in description)
Переглядів 2,2 тис.2 роки тому
Running Autodock Vina through Chimera (supplement to another tutorial linked in description)
Lennard-Jones Fluid Simulation Lab
Переглядів 2,5 тис.2 роки тому
Lennard-Jones Fluid Simulation Lab
Working through a MolSSI tutorial: Introduction and File Parsing
Переглядів 1492 роки тому
Working through a MolSSI tutorial: Introduction and File Parsing
Derivative Demo Learning Tool from gianmarc.com
Переглядів 612 роки тому
Derivative Demo Learning Tool from gianmarc.com
Network Hamiltonian Models of Amyloid Fibril Formation
Переглядів 3043 роки тому
Network Hamiltonian Models of Amyloid Fibril Formation
The Chemistry of Tie-Dye
Переглядів 6 тис.3 роки тому
The Chemistry of Tie-Dye
PhET Quantum Particle in a Box and Quantum Harmonic Oscillator Simulations
Переглядів 7563 роки тому
PhET Quantum Particle in a Box and Quantum Harmonic Oscillator Simulations
Quick Google Sheets Tutorial for Chem-160 Kinetics Problem
Переглядів 623 роки тому
Quick Google Sheets Tutorial for Chem-160 Kinetics Problem
Quick Excel Tutorial for Chem-160 Kinetics Problem
Переглядів 543 роки тому
Quick Excel Tutorial for Chem-160 Kinetics Problem
CHEM-160 Fundamentals of Physical Chemistry at San José State University
Переглядів 1413 роки тому
CHEM-160 Fundamentals of Physical Chemistry at San José State University
Intro to Running Molecular Dynamics Simulations with NAMD (links to each section in description)
Переглядів 27 тис.3 роки тому
Intro to Running Molecular Dynamics Simulations with NAMD (links to each section in description)
How to schedule an appointment in Canvas
Переглядів 2323 роки тому
How to schedule an appointment in Canvas
How to make a Jupyter Notebook - CHEM-101 at San José State University
Переглядів 2504 роки тому
How to make a Jupyter Notebook - CHEM-101 at San José State University
How to Install Anaconda - CHEM-101 at San José State University
Переглядів 3184 роки тому
How to Install Anaconda - CHEM-101 at San José State University

КОМЕНТАРІ

  • @oliverlacika4994
    @oliverlacika4994 6 днів тому

    Usually it is done with 2s complement so 2³ becomes -2³

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 6 днів тому

      Thank you very much for your comment! good point, and creating a video short on two’s compliment is a nice idea for a later video. For this video, I had about 10 seconds left at the end of the one minute limit and figured I would sneak in a way to extend this to negative fractions as simply as possible.🙂

  • @Al-Qaisi_Iraqi
    @Al-Qaisi_Iraqi Місяць тому

    thank you so much

  • @user-ze7jv1vw4b
    @user-ze7jv1vw4b Місяць тому

    I think it's wrong. By definition, temperature related to the motion of particles. If T=0, then there is no motion. If T<0, then there supposed to be negative motion or what?

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD Місяць тому

      Great question! Energy can be stored in different degrees of freedom, for example, vibrations, translations, or spin states. A system of translating particles like you describe are not capable of achieving negative absolute temperature, so your intuition is correct there. If the only degrees of freedom are magnetic spins, however, and they are in the presence of a magnetic field that flips directions faster than the spins can respond, negative temperature actually is possible. I created a full length video on my channel where I described this in more detail, it is linked here. I recommend checking that out to get a more detailed description.

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD Місяць тому

      Here’s that link: ua-cam.com/video/UfgJP3F_EyM/v-deo.htmlsi=dOxyj0oESB2nDrOu

    • @user-ze7jv1vw4b
      @user-ze7jv1vw4b Місяць тому

      @@GianmarcGrazioliPhD thank you for so small but ao detailed explanation. I will check video and share it to my friends who is interested in

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 28 днів тому

      Thank you very much for your message, and I appreciate you sharing this! :-) In case it's helpful, the full length video has much more detail, of course: ua-cam.com/video/UfgJP3F_EyM/v-deo.html

  • @GianmarcGrazioliPhD
    @GianmarcGrazioliPhD 2 місяці тому

    In case this part wasn't totally clear in the video: for systems where S(E) is monotonically increasing (nearly every system), the slope is always positive, so dS/dE is always positive, so 1/T is always positive. If a system's S(E) function has a negative slope, then that system is capable of negative Kelvin temperatures, specifically, for the energetic states where S(E) slopes downward. Full length video here: ua-cam.com/video/UfgJP3F_EyM/v-deo.htmlsi=dOxyj0oESB2nDrOu

  • @maximkouglo8672
    @maximkouglo8672 2 місяці тому

    I am KOUGLO Kodjo Maxim from the University of Lome (West Africa). I visited your website and am currently working with Turbomole to study some molecules. I started using Linux on my own computer due to convergence problems related to processor capacity with jobex. I am now trying to switch to macOS but am facing difficulties installing Turbomole on macOS and am currently stuck. I have seen, one of your video about introduction of Turbomole on macos; but there are not the part of the installation.

  • @maximkouglo8672
    @maximkouglo8672 2 місяці тому

    I am KOUGLO Kodjo Maxim from the University of Lome (West Africa). I visited your website and am currently working with Turbomole to study some molecules. I started using Linux on my own computer due to convergence problems related to processor capacity with jobex. I am now trying to switch to macOS but am facing difficulties installing Turbomole on macOS and am currently stuck.

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD Місяць тому

      I'm sorry to hear that you are having trouble getting Turbomole to work on your machine. I'm honestly not sure what is causing the issue, but I can take a wild guess. :-) Again, this is totally a guess, but I'm guessing TURBOARCH is some sort of variable holding the architecture of your computer, and you mentioned you switched from Ubuntu to Mac OS, so maybe that variable no longer makes sense with the new operating system. Maybe the uninstall of the Ubuntu version was incomplete or something like that? This is only a guess, but I hope it helps.

  • @maximkouglo8672
    @maximkouglo8672 2 місяці тому

    I am KOUGLO Kodjo Maxim from the University of Lome (West Africa). I visited your website and am currently working with Turbomole to study some molecules. I started using Linux on my own computer due to convergence problems related to processor capacity with jobex. I am now trying to switch to macOS but am facing difficulties installing Turbomole on macOS and am currently stuck.

  • @maximkouglo8672
    @maximkouglo8672 2 місяці тому

    I am KOUGLO Kodjo Maxim from the University of Lome (West Africa). I visited your website and am currently working with Turbomole to study some molecules. I started using Linux on my own computer due to convergence problems related to processor capacity with jobex. I am now trying to switch to macOS but am facing difficulties installing Turbomole on macOS and am currently stuck.

  • @GianmarcGrazioliPhD
    @GianmarcGrazioliPhD 2 місяці тому

    Wow, this short is off to a much slower start than the quantum mechanics one I created recently! Why does the algorithm have no love for statistical mechanics?!😂

    • @user-ze7jv1vw4b
      @user-ze7jv1vw4b Місяць тому

      @@GianmarcGrazioliPhD because they now taking care about 20y old videos)

  • @castilloh.gianmarco1048
    @castilloh.gianmarco1048 4 місяці тому

    gozuuu <3

  • @giaantran3810
    @giaantran3810 4 місяці тому

    Such a great and articulate video. Thank you for putting your time and effort into making it. I wonder if we can have a copy of your slides for this video? Again, many thanks for making it available to us.

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 4 місяці тому

      Thank you so much for your kind words about my video! At some point, I'll probably add some slides to my website, but I haven't had time. Please free to screenshot anything you'd like from the video.

    • @giaantran3810
      @giaantran3810 4 місяці тому

      @@GianmarcGrazioliPhD thank you for your response. Looking forward to your future videos and hope you the best of luck 😃😃

  • @yacc1706
    @yacc1706 4 місяці тому

    Better explained than the book

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 4 місяці тому

      Thanks for your comment, I'm so glad the video was helpful!

    • @yacc1706
      @yacc1706 4 місяці тому

      @@GianmarcGrazioliPhD great job! Very detailed, step by step

  • @SampleroftheMultiverse
    @SampleroftheMultiverse 4 місяці тому

    Thanks for your interesting article. My intuition said there is something important about this mechanical effect. This model shows how a field represented by a sheet of elastic material under the right initial conditions naturally form quantized energy levels. From there it was easy to form very stable three dimensional structures using a very minimal amount of material. (similar to the way engineers built large light weight space structures) ua-cam.com/video/wrBsqiE0vG4/v-deo.htmlsi=waT8lY2iX-wJdjO3 You and your followers might find the quantum-like analog useful in visualize nature properties of fields. I have been trying to describe the “U” shape wave that is produced in my amateur science mechanical model in the video link. I hear if you over-lap all the waves together using Fournier Transforms, it may make a “U” shape or square wave. Can this be correct representation Feynman Path Integrals? In the model, “U” shape waves are produced as the loading increases and just before the wave-like function shifts to the next higher energy level. Your followers might be interested in seeing the load verse deflection graph in white paper found elsewhere on my UA-cam channel. Actually replicating it with a sheet of clear folder plastic and tape and seeing it first hand is worth the effort.

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 4 місяці тому

      I just watched your video, that’s really cool! I had no idea that a piece of sheet metal would snap into shapes that mirror probability density functions for a quantum particle in a box under increasing load. After watching your demonstration, I think it can be explained similar to how the vibrational modes of a guitar string produce harmonics. Instead of being under tension like in the guitar string, your system is under compression, and interestingly, the same pattern emerges. Very cool!

    • @SampleroftheMultiverse
      @SampleroftheMultiverse 4 місяці тому

      @@GianmarcGrazioliPhD Thanks very much for the supportive words. When I first observed the effect all I knew about was the relationship between amplitude and frequencies. From playing with the process I learned that it was taken an exponential increase in load to produce the next phase change. Using this method, I produce light weight, structural panels with good stiffness properties. The abilities to produce stable structures is something that I haven’t seen produce by harmonic oscillators. Thanks to the support and guidance from professionals like yourself, I am learning more about my amateur science project. The video was part of a white paper to study the mechanical effect. The sawtooth load deflection curve is very interesting.

  • @trickytn2322
    @trickytn2322 4 місяці тому

    This is gold, thank you so much Dr❤

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 4 місяці тому

      I’m so glad it was helpful! You're most welcome, and thanks for your note 🙂

  • @TherealElijhawatkins
    @TherealElijhawatkins 4 місяці тому

    11:38

  • @Growmetheus
    @Growmetheus 4 місяці тому

    I hate when people say "it moved through" anything. Bro everything is a chemical compound, any particle fragment moves through the matrix. Piezoelectricity can tell you that.

  • @maynardtrendle820
    @maynardtrendle820 4 місяці тому

    It's all cartoons, anyway.😂

  • @riccardocacchioli9952
    @riccardocacchioli9952 4 місяці тому

    Modern science be like, t's a paradox, it defy logic, but surely is more probable then my machine been bad

  • @ОпятьЯ-ы3ю
    @ОпятьЯ-ы3ю 5 місяців тому

    How did I end up in the genius side of youtube shorts?

  • @zsomborburany9741
    @zsomborburany9741 5 місяців тому

    Nope, not correct. The particle does actually move through the center. Having said that, particles don't actually exist. The movement is done through a wave function.

  • @gingasouls6504
    @gingasouls6504 5 місяців тому

    Are you saying it cannot be observed in the middle state, or it cannot exist in the middle state?

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 5 місяців тому

      Great question! It can’t be observed in the exact center because the probability density function for position (blue surface shown during the video) is equal to zero in this quantum state. We can’t exactly say where the particle is existing before we measure its position, other than that it’s in the quantum state mentioned (\psi_{2,1}). The dog has a knowable hidden variable when we’re not looking (he’s walking, someone can just go look), but there’s no hidden variable for the quantum particle, it’s just not possible to separate the notion of where the particle is from the act of measuring the position.

    • @gingasouls6504
      @gingasouls6504 4 місяці тому

      @@GianmarcGrazioliPhD So its kind of like the "If a tree falls when noone is around - does it make sound?" In the same sense, the particle is only in a location when its being observed, when its not observed - its location is kind of undefined? But we cannot say whether it ever was located in the middle while we were not observing?

  • @idkmyname2197
    @idkmyname2197 5 місяців тому

    Bro I asked what you got for lunch

  • @shaun5657
    @shaun5657 5 місяців тому

    So quantum particles can teleport?

    • @YourLocalMedic
      @YourLocalMedic 5 місяців тому

      Yes but just a little bit

    • @chalkp
      @chalkp 5 місяців тому

      yes, maybe, sometimes.

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 4 місяці тому

      If we define teleporting as observing a particle in one position at one point in time, and then a different position later without there being an underlying deterministic trajectory that connects those two observations of the position while position is not being measured (an example of an underlying trajectory would be like the dog walking across the room whether or not anyone is looking), then yes! :-)

  • @Aratey_
    @Aratey_ 5 місяців тому

    I’m too high for this

  • @lastchance8142
    @lastchance8142 5 місяців тому

    Quantum weirdness? Its just the wave state of the particle. It only exists where the wave is at its peak. In fact, the "particle" is nothing more than a wave peak in it's peculiar field. Tunnelling, entanglement, and all the other "weirdness" are just manifestations of wave properties.

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 5 місяців тому

      Yup! But weirdness is a much more compact wording for a title than something like “quantum effects are counterintuitive when compared to our everyday interactions with matter at the extremely macroscopic scale we are able to directly observe with our senses, where the wave nature of the wave particle duality of what we perceive as solid objects is often imperceptible” don’t you think? 🙂 Your comment is appreciated, and I also feel it’s important to both learn the mathematics underpinning quantum mechanics while still maintaining a sense wonder for this fascinating area of science. My long form videos go into plenty of the mathematical details for any who might be interested.

    • @volkano6991
      @volkano6991 5 місяців тому

      ​@@GianmarcGrazioliPhDyes i agree

    • @keerthichandra376
      @keerthichandra376 5 місяців тому

      ​@@GianmarcGrazioliPhD so if the particles only exist during the peaks of the wave, then at the depressions of the wave, do the particles cease to exist or our capability of perceiving their existence ceases to exist?

  • @LET-THE-G00D-TIMES-R0LL
    @LET-THE-G00D-TIMES-R0LL 5 місяців тому

    This is just semantics. You're not talking about your Quantum particle moving anywhere, you're talking about it changing states.

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 5 місяців тому

      Nope, I'm talking about measuring the particle's position, and it's two separate measurements of a particle in a 2D box that is in the same quantum state throughout (\psi_{2,1}).

    • @ilmbrk6570
      @ilmbrk6570 5 місяців тому

      ​@@GianmarcGrazioliPhDBut by the Projection postulate after you measure the position of the particle the wave function updates and the particle is no longer in the original superpositon. The wave function will be contained in just one half of the room, in order to get nonzero probabilities in the other half it will have to cross the boundary. Particles can't teleport, this is described by the continuity equation d/dt |\psi|² = div(j) with j = \hbar/2m × Im(\psi*grad\psi)

    • @LET-THE-G00D-TIMES-R0LL
      @LET-THE-G00D-TIMES-R0LL 5 місяців тому

      @@GianmarcGrazioliPhD Hah, no problem, but you didn't explain HOW it moved (without a change in state) and unless you expect the reader to believe in magic, you should have. Provide the 3D & Time discussion (not just 'come back later'). Introducing the word 'Quantum' in a treatment or discussion can no longer be excused as physicists' Deus Ex Machina when breezing briefly over a subject.

  • @martinhodge921
    @martinhodge921 5 місяців тому

    Check out tunnel diodes.

  • @Ohokk0
    @Ohokk0 5 місяців тому

    that's insane

  • @rebeccastorck5621
    @rebeccastorck5621 5 місяців тому

    I have a test tomorrow and your videos really helped thank you

  • @justbae810
    @justbae810 5 місяців тому

    thank you so much

  • @mwariwemwenjewacho
    @mwariwemwenjewacho 5 місяців тому

    First Folding:1D (Great Void (D0to1|*|D9to12), Nothing Nothing)(CVL 1:8760= As Afuture So Ago)(Multidimensional [LOVE] Love Dense, Love Intense, Love Brilliance) (At some point in the eternal present ancient field.e8thIntelligence.[Deep]Wisdom=SoulCoherence=divine organisation=[Omnipolar'ral]energyvibrationfrequency started and the creator God came out of an Omnipolar'ral Dream of "the creation [of the Omnipolar'ralverse]" From Source Spirit Light Force)(CVL=MUSIKI MWARI WEMWENJE WAMUSIKAVANHU MUSENGI WEDENGU REMVURA MATENGA /YHVG-1563/DNA/100% AKASHIC ACUITY/ONENESS)(@least 44% DNA UNLOCK 2019-10-15|*|2024-02-01|1|2024-02-02@13:24hrs|2|2024-02-04@13:36hrs|1|TODAY|/MY STORY BEGINS NOW AS IT ENDS)

  • @nishanthvincent3458
    @nishanthvincent3458 5 місяців тому

    I'm new to VMD, all I could get it to do was render dynamic bonds between invisible particles. How do you get it to display those beads at the particles' positions?

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 5 місяців тому

      Create a second representation with create rep, then choose a sphere representation. You can layer as many representations as you want in VMD.

    • @nishanthvincent3458
      @nishanthvincent3458 5 місяців тому

      @@GianmarcGrazioliPhD I love you

  • @marktoffoli9186
    @marktoffoli9186 6 місяців тому

    Love from Australia, video came across on the algorithm. Hands down one of the best videos out about this topic!!

  • @omarmujahid1816
    @omarmujahid1816 6 місяців тому

    Great video so far! Thanks professor <3

  • @geraldwalker3958
    @geraldwalker3958 6 місяців тому

    Learned fortran decades ago. What program is being used here?

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 6 місяців тому

      It is Mathematica from Wolfram, it's a fantastic tool for math and physics.

  • @ioannaathineos5269
    @ioannaathineos5269 7 місяців тому

    Just amazing !!Thank you so much💯

  • @heisenblack_
    @heisenblack_ 7 місяців тому

    wow this video is amazing Professor!!!!!! I need more coffee to finish it lol Amazing!!!!!

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 7 місяців тому

      Thank you so much!! I really appreciate that. It took lots of coffee to create as well 🙂

  • @GianmarcGrazioliPhD
    @GianmarcGrazioliPhD 7 місяців тому

    I forgot to mention in the intro that I have created timestamps in the description, and also added a link where you can go download my interactive GUI learning tools: I'll add timestamps for the various topics here as well: 0:00 - intro 1:49 - lecture begins 3:05 - units and measurements 5:28 - fundamental vs. derived units 11:13 - what are functions? 13:09 - translating and scaling a parabola (lesson incorporates a GUI) 18:11 - derivatives (lesson incorporates a GUI) 26:25 - integrals (lesson incorporates a GUI) 34:17 - common mathematical relationships 35:15 - common derivatives 37:14 - the chain law for derivatives 42:58 - the product rule for derivatives 44:05 - integration by parts 49:03 - vector basics 52:18 - vector dot product 54:34 - matrix multiplication on a vector 56:33 - unit vectors 59:27 - operators 1:00:46 - rotation matrix as an operator 1:02:36 - the differential operator 1:03:57 - the gradient operator 1:08:59 - outro

  • @kushunadkat9087
    @kushunadkat9087 8 місяців тому

    Heyy Happy New Year! I hope you guys are doing well. I just got a new Mac and I am using this for Bioinformatics and Computational Biology. I was trying to use UCFC Chimera on the Mac and wanted to dock a protein using AutoDock Vina when I got this error. Can someone please tell me what this is and how to solve this issue asap? [Errno 30] Read-only file system: 'docking.receptor.pdb' I really need to complete my work so any help is appreciated : )

    • @alreadyghosts7727
      @alreadyghosts7727 8 місяців тому

      Did you solve this issue? If not, have you tried a different .pdb file as a test? Try simply using the one mentioned in this tutorial - go get it from PDB or wherever the OP got his. See if you get the same error.

    • @kushunadkat9087
      @kushunadkat9087 8 місяців тому

      @@alreadyghosts7727 solved the issue, thx

  • @bluequasar
    @bluequasar 9 місяців тому

    This helped out so much, thank you!!

  • @drscottsimpson
    @drscottsimpson 10 місяців тому

    Thank you for this!

  • @abhiban66
    @abhiban66 11 місяців тому

    Thanks for posting.

  • @Illumiscardepp
    @Illumiscardepp 11 місяців тому

    I am tyro of quantum field, and this video help me explicate the entire process of deprivation, thanks alot! I learn my-self 4h to solve my tutorial question, but get nothing🤧. But thanks to this video, i totally comprehend it!!!!

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 5 місяців тому

      I am so glad that my video was helpful, thank you very much for your message!

  • @sevans3600
    @sevans3600 Рік тому

    This video is incredible. Thank you so much for this.

  • @czyes
    @czyes Рік тому

    I don't usually leave comments but man, this video is absolute gold! the explanation is super clear, I understood all the math but the final part, where you talk about the superposition and linear combination of two states, but I think that is because I don't know the theory well enough... I have one question though: how much harder is solving the equation for 2 charged particles in 1D box? In that case the potential is time dependent because the charged particles effect each others so you can't separate the variables I think... I'd like to solve that but I don't know if my math can handle it XD

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD Рік тому

      Thanks a lot! You are correct that the total potential would become time-dependent with two interacting charged particles in a 1D box, and the problem would become much more difficult to solve! 🙂 I found two papers where it looks like the authors are doing something like this: www.degruyter.com/document/doi/10.2478/s11534-006-0005-2/html here is the earlier paper: arxiv.org/pdf/physics/9909042.pdf

    • @czyes
      @czyes Рік тому

      @@GianmarcGrazioliPhD Thank you so much for the answer :D I'll check both papers thanks!

  • @paulocarvalho5688
    @paulocarvalho5688 Рік тому

    Thanks for the video. Could you make a video teaching how to enable the GPUs? Additionally, could you do a simulation with one GPU and then with more than one GPU? Will simulation with more than one GPU be faster than with just 1? If the result is the same, how do you configure NAMD to use all GPUs?

  • @YTantirungrotechai
    @YTantirungrotechai Рік тому

    thank you. very clear and easy to follow tutorial.

    • @GianmarcGrazioliPhD
      @GianmarcGrazioliPhD 5 місяців тому

      I’m so glad it was helpful, thank you for your message!

  • @jeneeshmpd525
    @jeneeshmpd525 Рік тому

    could you please tell me how to do emission spectra in turbomole..i did absorption spectra

  • @jeremyerb9435
    @jeremyerb9435 Рік тому

    Loved the video! Very informative