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Materials Square
South Korea
Приєднався 25 вер 2019
This channel is made up of tutorials of Materials Square.
Materials Square is All-in-one materials simulation web platform.
We provide easy-to-use web interface for Quantum Espresso, LAMMPS, and Open Calphad.
Sign up free and enjoy our powerful features for free
∙ Web Interface
∙ Free Structure Modeling
∙ Pre/post-data-processing
∙ DFT/MD simulation samples
Materials Square is based on the optimized cloud HPC environment. Stop worrying about server installation and maintenance.
∙ Pay-As-You-Go pricing policy :
Computing resource for DFT/MD simulation
: $0.25 per core hour(available up to 48 cores)
Database for Calphad
: $0.1 - $1 per phase diagram
* MatSQ Unlimited Plan ( materialssquare.com/unlimited ) - Enjoy unlimited computing resources even if you have a limited budget.
(Students can use 2,000 CPU hours with $ 100.)
Materials Square is All-in-one materials simulation web platform.
We provide easy-to-use web interface for Quantum Espresso, LAMMPS, and Open Calphad.
Sign up free and enjoy our powerful features for free
∙ Web Interface
∙ Free Structure Modeling
∙ Pre/post-data-processing
∙ DFT/MD simulation samples
Materials Square is based on the optimized cloud HPC environment. Stop worrying about server installation and maintenance.
∙ Pay-As-You-Go pricing policy :
Computing resource for DFT/MD simulation
: $0.25 per core hour(available up to 48 cores)
Database for Calphad
: $0.1 - $1 per phase diagram
* MatSQ Unlimited Plan ( materialssquare.com/unlimited ) - Enjoy unlimited computing resources even if you have a limited budget.
(Students can use 2,000 CPU hours with $ 100.)
Webinar 119 | Electronic structure including electron-phonon effects
The webinar "Electronic Structure Including Electron-Phonon Effects" delves into the impact of electron-phonon interactions on the electronic properties of materials. A key focus is the zero-point renormalization (ZPR) of the band gap, which arises from quantum lattice vibrations. The seminar emphasizes that accurately accounting for ZPR is essential for precise band gap calculations, as neglecting this effect can lead to significant discrepancies between theoretical predictions and experimental observations.
📌Web-based materials simulation platform(MatSQ) - www.materialssquare.com
📌MatSQ Webinar page - www.materialssquare.com/webinar
Materials Square is a web-based service. You can perform a DFT/MD/Thermodynamic calculation in your web browser without installing any software. Modelling, pre/post data processing, and many features are free for registered users. To perform simulations, you will need to credit your account to use MatSQ’s cloud servers for computation.
📌Web-based materials simulation platform(MatSQ) - www.materialssquare.com
📌MatSQ Webinar page - www.materialssquare.com/webinar
Materials Square is a web-based service. You can perform a DFT/MD/Thermodynamic calculation in your web browser without installing any software. Modelling, pre/post data processing, and many features are free for registered users. To perform simulations, you will need to credit your account to use MatSQ’s cloud servers for computation.
Переглядів: 219
Відео
Webinar 118 | Machine learning interatomic potentials for modelling radiation damage
Переглядів 109Місяць тому
The webinar titled "Machine Learning Interatomic Potentials for Modelling Radiation Damage" features Professor Kai Nordlund from the University of Helsinki. In this session, Professor Nordlund discusses recent advancements in developing machine-learning interaction models tailored for radiation damage calculations in body-centered cubic (bcc) high-entropy alloys and face-centered cubic (fcc) me...
Webinar 117 | Potable water for everyone - Can carbon nanostructures help?
Переглядів 352 місяці тому
The Materials Square webinar titled "Potable Water for Everyone - Can Carbon Nanostructures Help?" explores the potential of carbon nanostructures in addressing global challenges related to potable water. It delves into the properties of carbon-based nanomaterials, such as carbon nanotubes and graphene, and their applications in water purification and desalination processes. The session also ex...
Webinar 116 | BoltzTraP and Electronic Transport in Solids
Переглядів 1692 місяці тому
The webinar titled "BoltzTraP and Electronic Transport in Solids" organized by Materials Square explores the application of BoltzTraP software for analyzing electronic transport in solid materials. It covers methodologies for computing key properties like electrical conductivity, Seebeck coefficients, and thermal conductivity in various materials, utilizing the Boltzmann transport theory. The s...
Webinar 115 | Stacking van der Waals atomic layers: quest for new quantum materials
Переглядів 2612 місяці тому
The webinar titled "Stacking van der Waals Atomic Layers: Quest for New Quantum Materials" organized by Materials Square explores the unique properties and applications of van der Waals (vdW) heterostructures, which are composed of atomically thin layers held together by vdW forces. The presentation focuses on the potential of these materials in developing new quantum materials with desirable e...
Webinar 114 | Computational chemistry for the characterization of biological mineralization
Переглядів 683 місяці тому
The webinar "Computational Chemistry as the Missing Piece in the Characterization Puzzle of Biological Mineralization" explores the role of computational chemistry in understanding biological mineralization processes. It highlights how combining experimental methods with computational techniques helps unravel complex mechanisms involved in mineral formation in biological systems. This interdisc...
Webinar 137 | Modeling structural transitions in condensed matter
Переглядів 1823 місяці тому
Modeling structural transitions in condensed matter: order parameters and kinetic rates from affordable amounts of simulation data The webinar will introduce computational approaches we recently developed to efficiently determine the optimal order parameter, and kinetic rates using manageable amounts of simulation data, bypassing costly existing techniques in modeling structural transitions in ...
Webinar 136 | Accelerated Materials and Molecular Discovery with Self-Driving Labs
Переглядів 1343 місяці тому
The webinar will present the development of Self-Driving Labs (SDLs) to accelerate discovery, development, and manufacturing of advanced functional materials and molecules. 📌Web-based materials simulation platform(MatSQ) - www.materialssquare.com 📌MatSQ Webinar page - www.materialssquare.com/webinar Materials Square is a web-based service. You can perform a DFT/MD/Thermodynamic calculation in y...
Webinar 135 | How is materials modeling working for the industry?
Переглядів 2373 місяці тому
The webinar will discuss the role of and challenges for materials modeling in supporting the industry in its quest to respond to complex challenges such as increased sustainability and digitalization. 📌Web-based materials simulation platform(MatSQ) - www.materialssquare.com 📌MatSQ Webinar page - www.materialssquare.com/webinar Materials Square is a web-based service. You can perform a DFT/MD/Th...
Webinar 134 | Modeling Nanomaterials for CO2 Conversion: Importance of First-Principles Simulations
Переглядів 2584 місяці тому
This webinar will cover the details of modeling nanomaterials for CO2 capture and conversion on metal oxide based catalystic. 📌Web-based materials simulation platform(MatSQ) - www.materialssquare.com 📌MatSQ Webinar page - www.materialssquare.com/webinar Materials Square is a web-based service. You can perform a DFT/MD/Thermodynamic calculation in your web browser without installing any software...
Webinar 133 | The many roles of computational assistance and AI in the discovery of new molecules
Переглядів 1724 місяці тому
This webinar will talk about some of the complexities of molecular representation learning and the limitations of graph-based models. 📌Web-based materials simulation platform(MatSQ) - www.materialssquare.com 📌MatSQ Webinar page - www.materialssquare.com/webinar Materials Square is a web-based service. You can perform a DFT/MD/Thermodynamic calculation in your web browser without installing any ...
Webinar 132 | From superconductors to giant planets: a computational window on materials
Переглядів 1594 місяці тому
Recent progress in quantum-based computational methods, bolstered by increased computing power and machine learning, has significantly enhanced our ability to discover materials with unusual properties or existing in extreme environments, offering a deep computational insight into various substances. 📌Web-based materials simulation platform(MatSQ) - www.materialssquare.com 📌MatSQ Webinar page -...
Webinar 131 | Multiscale and data-driven methods for the simulation of material failure
Переглядів 1304 місяці тому
This webinar will review recent progress on the development and application of advanced atomistic algorithms to simulate chemomechanical systems where local chemistry and long-range stress are tightly coupled, e.g. at the tip of a propagating crack or the core of a dislocation. 📌Web-based materials simulation platform(MatSQ) - www.materialssquare.com 📌MatSQ Webinar page - www.materialssquare.co...
Webinar 130 | A Density functional theory (DFT) Exclusive Tutorial on Materials Square
Переглядів 8364 місяці тому
Embark on a journey with us to grasp the intricacies of Density Functional Theory (DFT) using Quantum Espresso (QE). This tutorial, designed especially for beginners and those enthusiastic about DFT, simplifies complex concepts, ensuring an enriching learning experience to support your academic and research pursuits. 📌Web-based materials simulation platform(MatSQ) - www.materialssquare.com 📌Mat...
Webinar 129 | Materials informatics: Moving beyond screening via generative machine learning models
Переглядів 2285 місяців тому
This webinar will describe new generative machine learning approaches that can be used to generate structures that do not yet exist, but are likely to. 📌Web-based materials simulation platform(MatSQ) - www.materialssquare.com 📌MatSQ Webinar page - www.materialssquare.com/webinar Materials Square is a web-based service. You can perform a DFT/MD/Thermodynamic calculation in your web browser witho...
Webinar 128 | Can machine intelligence help us find the Universal Density Functional?
Переглядів 2215 місяців тому
Webinar 128 | Can machine intelligence help us find the Universal Density Functional?
Webinar 127 | Transformations in computational materials science from topological approaches
Переглядів 1245 місяців тому
Webinar 127 | Transformations in computational materials science from topological approaches
Webinar 126 | Large-scale machine-learning assisted discovery and characterization of materials
Переглядів 1535 місяців тому
Webinar 126 | Large-scale machine-learning assisted discovery and characterization of materials
MatSQ Webinar 125 | AI-driven search for functional materials: symbolic inference in catalysis
Переглядів 1056 місяців тому
MatSQ Webinar 125 | AI-driven search for functional materials: symbolic inference in catalysis
MatSQ Webinar 124 | Atomistic-scale simulations of realistic, complex, reactive materials
Переглядів 1716 місяців тому
MatSQ Webinar 124 | Atomistic-scale simulations of realistic, complex, reactive materials
MatSQ Webinar 123 | Developing an “Alpha Fold" for Materials Science
Переглядів 1676 місяців тому
MatSQ Webinar 123 | Developing an “Alpha Fold" for Materials Science
MatSQ Webinar 122 | Extracting Bonds from Bands: COHP and other Chemical-Bonding Tools via LOBSTER
Переглядів 3816 місяців тому
MatSQ Webinar 122 | Extracting Bonds from Bands: COHP and other Chemical-Bonding Tools via LOBSTER
MatSQ Webinar 121 | First-Principles Calculations of Electron-Phonon Interactions
Переглядів 3766 місяців тому
MatSQ Webinar 121 | First-Principles Calculations of Electron-Phonon Interactions
[Materials Square] How to obtain IR/Raman Spectrum of Crystal Structures with Quantum Espresso
Переглядів 2,5 тис.Рік тому
[Materials Square] How to obtain IR/Raman Spectrum of Crystal Structures with Quantum Espresso
[Materials Square] How to Use 'Select' Mode in Modeling | Structure Builder
Переглядів 583Рік тому
[Materials Square] How to Use 'Select' Mode in Modeling | Structure Builder
[Materials Square] Modeling of Chemical Structures: How to Bring Molecules from Database
Переглядів 547Рік тому
[Materials Square] Modeling of Chemical Structures: How to Bring Molecules from Database
[Materials Square] Generate Quantum Espresso Input for free (PWscf)
Переглядів 1,6 тис.Рік тому
[Materials Square] Generate Quantum Espresso Input for free (PWscf)
[Materials Square] Graphene Band Structure with Quantum Espresso
Переглядів 1,7 тис.Рік тому
[Materials Square] Graphene Band Structure with Quantum Espresso
[Materials Square] How to Model a Polymer System for Molecular Dynamics Simulation
Переглядів 2,6 тис.Рік тому
[Materials Square] How to Model a Polymer System for Molecular Dynamics Simulation
[Materials Square] How to use GAMESS: Geometry Optimization of Coumarin
Переглядів 2,6 тис.Рік тому
[Materials Square] How to use GAMESS: Geometry Optimization of Coumarin
plz elaborate more about this sofyware or send link to download
Very helpful.Thank you Prof
which university , were u taught in kind sir cuz this is a diamond in coal typa video
Hey I found this very helpful in drawing the polymer, but is there a way to randomize the monomer groups on the chain. As you have it now the chain is split in half with one side being all one type and the other side being the other group. Please let me know thanks!
Ciao Stefano Complimenti per la brillante carriera Dalle Cima a Duke uni .
Excellent way to explain but please add BoltzTrap calculation in Materials Square, this is very important. Can we run this optimization file separately for BoltzTrap in QE or Wien2K software.
thanks dr mosab for your talk, can you please make another series of using DFT on platfrom?
Thank you Dr. Banisalman for amazing tutorial easy and informative
Thank you Dr. and @MatSQ so much for publishing this video! It's very helpful for me to gain experience in DFT with such a great tool 🤗
You did not consider chemical potential?
This example is a calculation related to silicon atom point vacancy in a silicon bulk. The chemical potential has been calculated for a bulk of Si.
@@matsq_jryou Thank you, I am currently trying to calculate vacancy formation energy for FeO. E_f = E_defect - E_perfect + (net vacancy/No of atoms)*E_iron. i hope this formular is correct
Thank you for the video. How to add charged defects ?
Don't use it. I have been trying to calculate Raman spectra for crystals I have measured in real life, but when I compute through their website, it says a Raman doesn't exist. They probably use spectra people have already measured and don't simulate anything. The support will not help and ignores the messages.
hello, where can find the full video?
HI, I am finding the Elastic constants for 316SS, how do i do it??
Can you tell me how can I obtained orbital kinetic energy? By using GAMESS
What is the unit of volume in the Tg graph and what does MSD represent?
very ironic considering that ai just discovered 2.2 million materials just today, 350,000 of which are already stable.
Do all configurations have ibrav=0? Isn't this option just for supercells?
Sir, Its free or paid sir. I was try. My total atom is 31.
is it free or paid ? if is it paid website how we can use it free ?
Hi sir. I need your help. I have a nano structure. How can I reduce thermal conductivity using quantum expresso
Hi, this work is interesting. I am studying the shear deformation by LAMMPS, and the shear script is based on the example in LAMMPS (velocity method). But I donot know how to write the script to calculate the shear strain and shear stress. Could you give me some suggestions?
Thank you for the Nice method explanation
I'm trying to understand how calculate band structure of graphene oxide. My graphene oxide material from activated carbon of biomass. Please give me guide, thank you verymush
분명 필요한 금액이 0$인데 왜 start job!을 누르면 돈이 부족하다고 뜰까요?
Is this free service or paid ??
@@ES-yd1ze i paid...
please english subtitels
A lot of thanks Sir. Nice work and i'am waiting for your up coming videos. Thank you very much
How to find site degeneracy?
A lot of Thanks . Thank you for your efforts
Very nice work
Thank you very much. Are there any other videos simulations. I love this kind of material square tutorials
Thank you Amin. Sure, please have a look at our UA-cam channel, and visit our website for more tutorials, simulations and module tips ua-cam.com/users/MaterialsSquarevideos www.materialssquare.com/blog
How to export this data in origin or excel?
Please send link to download this software
Hi , You do not need to download anything; all you need is an ID and a password, which you can obtain by entering your email address and registering on the site. www.materialssquare.com/
how do you change the position of the molecule by just clicking the mouse?
Hi Pyridin, There are several ways to do this with materials Square tools. For example, use "Select" Mode, and there you can choose your selected style such as "SINGLE ATOM", once you do that another selection style (looks like a small square) will be shown to use your mouse for selection and moving the atom/molecule as you wish. However, there are several methods you can use with your keyboard as well. If you still have a question, you can get help right away by using the chat feature on the main site, www.materialssquare.com/.
Dear Sir, Can you demonstrate about photochemical activity using software with a simple example? Thanks
Can this software stimulate polymer nanocomposites?
Yes it is. You can simulate the polymer using the LAMMPS implemented in Materials Square.
@@MaterialsSquare is it paid or free software?
it is free and user friendly@@dr.azharscienceandtech.9352
How to add my forcefield? Because there is no available forcefield.
Excellent. Please, what are the procedures to get institutional subscriptions? My research supervisor is going to love this. And I hope you guys provide training and support. Thank you.
Hi jimmylolu, the platform for building module is for free, once you run your simulation then you need credits ( CPU/hour) to have and you can order that from the site ( pricing section).
From this simulation , how do we identify the melting point of the alloy? hence, theoretically it ~1300-1400K
Why the modulus value is not obtained in the pattern? How can we report results?
How to take Tg value? From final results
You should analyze the CTE change, or the Temperature gradient change. For a more detailed analysis, you can calculate by reducing the temperature range.
@@MaterialsSquare Thank you I shall try it.
What is difference between material studio and material square?
Hello. Materials Square and Materials Studio are different services developed by different companies. Materials Square provides the simulation environment on the web. And you can use the cloud computing server to start your calculation on Materials Square. For the detail, please refer to our documentation. www.materialssquare.com/docs
@@MaterialsSquare I shall go through it. Thank you 🙏
The robotic voiceover is a bit clunky, but otherwise great to see that Materials Square implemented CGCNN.
The calculation was running in online cluster?
Result Analysis of Geometry Optimization | GAMESS *Please refer to the "[Materials Square] How to use GAMESS: Geometry Optimization of Coumarin (ua-cam.com/video/DcjGxYTFSJY/v-deo.html)" to learn how to perform geometry optimization 00:25 Geometry optimization for Acetylene 01:58 Analyzer : 'Atomic Analysis' module 03:39 Analyzer : 'Surface' module 05:23 Analyzer : 'Density of States' module
Good tutorial.. 👍
wow ❤. this is what i was looking for
Very nice work sir.
Excellent work
16:38, the formula for the optical absorption (alpha) seems incorrect! There should be lambda in the denominator.