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Webinar | MatSQ 138: “Building Surface and Interface Structures” using Materials Square

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Feb 20, 2025
48:32

📌MatSQ Webinar page - https://www.materialssquare.com/webinar 📄 Download the presentation slides - https://www.materialssquare.com/webinar Simulation starts with modeling, and accurate structural modeling is essential for reliable DFT simulations. However, many researchers, especially beginners, struggle to construct models accurately. Materials Square provides powerful tools to simplify the modeling process, but many users struggle to use them effectively. In this webinar, we will cover how to use the modeling module in Materials Square. We will walk you through hands-on exercises to construct low Miller index surfaces (e.g. Au(111), Au(100), Au(110)), prepare surface structures for various calculations, and design heterostructures (e.g. Graphene/Au(111), Graphene/MoS₂) for interface analysis. You will learn how to generate reliable models to improve your research efficiency and simulation accuracy. 📌Web-based materials simulation platform(MatSQ) - https://www.materialssquare.com 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.

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Webinar | MatSQ 138: “Building Surface and Interface Structures” using Materials Square | NatokHD