/awesome-inverse-material-design

Comprehensive collection of literature, resources and tools showcasing the implementation of inverse design of material

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awesome-inverse-material-design Awesome

Comprehensive collection of literature, resources and tools showcasing the implementation of inverse design of material

📝 Publications (11)

  1. An invertible, invariant crystal representation for inverse design of solid-state materials using generative deep learning - 2023-11-02 by Hang Xiao, Rong Li, Xiaoyang Shi, Yan Chen, Liangliang Zhu, Xi Chen , Lei Wang Summary: . ..... [Code]
  2. Rapid discovery of stable materials by coordinate-free coarse graining - 2022-07-27 by Rhys E. A. Goodall,Abhijith S. Parackal, Felix A. Faber, Rickard Armiento, And Alpha A. Lee Summary: . ..... [Code]
  3. Crystal Diffusion Variational Autoencoder for Periodic Material Generation - 2021-10-12 by Tian Xie, Xiang Fu, Octavian-Eugen Ganea, Regina Barzilay, Tommi Jaakkola Summary: . ..... [Code]
  4. Data-driven discovery of 2D materials by deep generative models - 2022-11-11 by Peder Lyngby, Kristian Sommer Thygesen Summary: . ..... [Code]
  5. Diffusion probabilistic models enhance variational autoencoder for crystal structure generative modeling - 2023-08-04 by Teerachote Pakornchote, Natthaphon Choomphon-Anomakhun, Sorrjit Arrerut, Chayanon Atthapak, Sakarn Khamkaeo, Thiparat Chotibut, Thiti Bovornratanaraks Summary: . ..... [Code]
  6. Scalable Diffusion for Materials Generation - 2023-10-18 by Mengjiao Yang, Kwanghwan Cho, Amil Merchant, Pieter Abbeel, Dale Schuurmans, Igor Mordatch, Ekin Dogus Cubuk Summary: . ..... [Code]
  7. Inverse Design of Solid-State Materials via a Continuous Representation - 2016-11-06 by Juhwan Noh , Jaehoon Kim , Helge S. Stein, Benjamin Sanchez-Lengeling, John M. Gregoire, Alan Aspuru-Guzik, Yousung Jung Summary: . ..... [Code]
  8. Language models can generate molecules, materials, and protein binding sites directly in three dimensions as XYZ, CIF, and PDB files - 2023-05-09 by Daniel Flam-Shepherd, Alán Aspuru-Guzik Summary: . ..... [Code]
  9. Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures - 2019-03-09 by Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Jean Michel Sellier, Yoshua Bengio Summary: . ..... [Code]
  10. 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning - 2020-08-31 by Callum J. Court, Batuhan Yildirim, Apoorv Jain, And Jacqueline M. Cole Summary: . ..... [Code]
  11. Constrained crystals deep convolutional generative adversarial network for the inverse design of crystal structures - 2021-05-10 by Teng Long, Nuno M. Fortunato, Ingo Opahle, Yixuan Zhang, Ilias Samathrakis, Chen Shen, Oliver Gutfleisch & Hongbin Zhang Summary: . ..... [Code]