Space Group Constrained Crystal Generation

Space Group Constrained Crystal Generation

6 February 2024

Yang Liu

Papers citing "Space Group Constrained Crystal Generation"

6 / 6 papers shown

Title
SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models Daniel Levy Siba Smarak Panigrahi Sékou-Oumar Kaba Qiang Zhu Kin Long Kelvin Lee Mikhail Galkin Santiago Miret Siamak Ravanbakhsh 101 11 0 05 Feb 2025
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks N. Kim Seongsu Kim Minsu Kim Jinkyoo Park Sungsoo Ahn AI4CE 28 0 0 07 Oct 2024
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 196 224 0 12 Oct 2021
Inverse design of 3d molecular structures with conditional generative neural networks Niklas W. A. Gebauer M. Gastegger Stefaan S. P. Hessmann Klaus-Robert Muller Kristof T. Schütt AI4CE 179 162 0 10 Sep 2021
Crystal structure prediction of materials with high symmetry using differential evolution Wenhui Yang Edirisuriya M Dilanga Siriwardane Rongzhi Dong Yuxin Li Jianjun Hu 166 16 0 20 Apr 2021
Argmax Flows and Multinomial Diffusion: Learning Categorical Distributions Emiel Hoogeboom Didrik Nielsen P. Jaini Patrick Forré Max Welling DiffM 202 392 0 10 Feb 2021