Hi, our team is currently exploring research opportunities regarding visualization tools for computational materials design of inorganic crystal structures. I am writing to ask what features people would like to have for such an interface?
I image such an interface to be something like we start with a chemical composition and we will see the stable phases and corresponding crystal structures. It would also be good if we can know the predicted properties of interest as well as how the structures can be related to the properties. Any thoughts/comments are welcome and appreciated. Thank you.
Cheng Zeng I can share my thoughts and experiences to help you and your team in this journey. To make it accessible and engaging, let's break down the key aspects of your proposed interface and discuss them one by one.
1CRYSPNet: Crystal structure predictions via neural networks
2Recent Advances and Challenges in Protein Structure Prediction
3Recent trend of using computational science tools in organic-inorganic hybrid perovskite materials research
4Accurate Computational Design of 3D Protein Crystals
Deep learning is a genre of machine learning algorithms that attempt to solve tasks by learning abstraction in data following a stratified description paradigm using non-linear transformation architectures. When put in simple terms, say you want to make the machine recognize Mr. X standing in front of Mt.
DEAR Cheng Zeng , please consider the above papers.
GOOD LUCK
Shima Shafiee Interesting papers! Thanks for sharing your thoughts and findings.