CrysX DEMO: DFT based Embedding
This is an online interactive demo of various density functional theory (DFT) based embedding techniques like Frozen Density Embedding and Projection-based Embedding. It…
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BIOVIA Conference 2022 Poster – Wavefunction-in-DFT Embedding for Molecular and Periodic Systems
Video Presentation I hope you’re enjoying my poster. If you have any questions regarding my work then you can ping me via any…
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ICQNN 2022 Poster – Density Functional Theory Based Embedding for Molecular and Periodic Systems
Interactive DEMO – Perform DFT based embedding in the cloud I hope you’re enjoying my poster. If you have any questions regarding my…
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Psi-K 2022 Poster – DENSITY FUNCTIONAL EMBEDDING SCHEME FOR MOLECULAR AND PERIODIC SYSTEMS USING GAUSSIAN BASIS FUNCTIONS
Interactive DEMO – Perform DFT based embedding in the cloud I hope you’re enjoying my poster. If you have any questions regarding my…
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CrysX – CompChem File Converter [WEB APP]
Chemical File Format Converter The following is the Web Application built using Python, Open Babel, Py3Dmol and Streamlit that allows inter-conversion between various…
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WATOC-2020 (2022) Poster – DENSITY FUNCTIONAL EMBEDDING SCHEME FOR MOLECULES AND PERIODIC SYSTEMS
Hi! It’s me, Manas Sharma. Unfortunately, I couldn’t be there in person as I didn’t get the VISA on time 🙁 Anyway, I…
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Basis Set Converter Web Application
The following is the Web Application built using Python, BSE and Streamlit that allows inter-conversion between various basis set formats used by different…
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Microstructure Classification using Neural Networks – Streamlit App
In this post, I demonstrate a Streamlit app that I have created that can be used to classify microstructures of different types. I…
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Handwritten digit recognition using CrysX-NN neural network trained on MNIST_Plus
In the last post, I showcased an app based on a neural network, trained on the MNIST dataset using the CrysX-NN library. The…
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Handwritten digit recognition using CrysX – Neural Network library and Streamlit Web App
Recently, I wrote a blog post on creating a Streamlit app for recognizing handwritten digits using a convolutional neural network model with the…
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