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Crystal Diffusion Variational Autoencoder for Periodic Material Generation

12 October 2021

Papers citing "Crystal Diffusion Variational Autoencoder for Periodic Material Generation"

22 / 122 papers shown

Title
Thermodynamic AI and the fluctuation frontier Patrick J. Coles Collin Szczepanski Denis Melanson Kaelan Donatella Antonio J. Martinez Faris M. Sbahi AI4CE 77 19 0 09 Feb 2023
Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics Marloes Arts Victor Garcia Satorras Chin-Wei Huang Daniel Zuegner Marco Federici C. Clementi Frank Noé Robert Pinsler Rianne van den Berg DiffM 111 92 0 01 Feb 2023
Equivariant Message Passing Neural Network for Crystal Material Discovery Astrid Klipfel Olivier Peltre Najwa Harrati Yael Fregier A. Sayede Zied Bouraoui 28 10 0 01 Feb 2023
CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials Kishalay Das Bidisha Samanta Pawan Goyal Seung-Cheol Lee S. Bhattacharjee Niloy Ganguly 58 18 0 14 Jan 2023
Discovery of 2D materials using Transformer Network based Generative Design Rongzhi Dong Yuqi Song Edirisuriya M Dilanga Siriwardane Jianjun Hu 61 8 0 14 Jan 2023
Score-based denoising for atomic structure identification Tim Hsu Babak Sadigh N. Bertin Cheol Woo Park James Chapman Vasily V. Bulatov Fei Zhou DiffM 63 6 0 05 Dec 2022
Equivariant Networks for Crystal Structures Sekouba Kaba Siamak Ravanbakhsh AI4CE 97 24 0 15 Nov 2022
Transferable E(3) equivariant parameterization for Hamiltonian of molecules and solids Yang Zhong Hongyu Yu Mao Su X. Gong H. Xiang 90 42 0 28 Oct 2022
GENIE: Higher-Order Denoising Diffusion Solvers Tim Dockhorn Arash Vahdat Karsten Kreis DiffM 108 114 0 11 Oct 2022
Periodic Graph Transformers for Crystal Material Property Prediction Keqiang Yan Yi Liu Yu-Ching Lin Shuiwang Ji AI4TS 139 90 0 23 Sep 2022
A Survey on Generative Diffusion Model Hanqun Cao Cheng Tan Zhangyang Gao Yilun Xu Guangyong Chen Pheng-Ann Heng Stan Z. Li MedIm 233 238 0 06 Sep 2022
Diffusion Models: A Comprehensive Survey of Methods and Applications Ling Yang Zhilong Zhang Yingxia Shao Shenda Hong Runsheng Xu Yue Zhao Wentao Zhang Tengjiao Wang Ming-Hsuan Yang DiffM MedIm 482 1,420 0 02 Sep 2022
Graph neural networks for materials science and chemistry Patrick Reiser Marlen Neubert André Eberhard Luca Torresi Chen Zhou ... Houssam Metni Clint van Hoesel Henrik Schopmans T. Sommer Pascal Friederich GNN AI4CE 122 419 0 05 Aug 2022
Exploring Generative Neural Temporal Point Process Haitao Lin Lirong Wu Guojiang Zhao Pai Liu Stan Z. Li DiffM 84 26 0 03 Aug 2022
Atomic structure generation from reconstructing structural fingerprints Victor Fung Shuyi Jia Jiaxin Zhang Sirui Bi Junqi Yin P. Ganesh 60 12 0 27 Jul 2022
Data-driven discovery of novel 2D materials by deep generative models Peder Lyngby K. Thygesen DiffM 66 71 0 24 Jun 2022
Few-Shot Diffusion Models Giorgio Giannone Didrik Nielsen Ole Winther DiffM 231 51 0 30 May 2022
Crystal Twins: Self-supervised Learning for Crystalline Material Property Prediction Rishikesh Magar Yuyang Wang Amir Barati Farimani 73 62 0 04 May 2022
SELFIES and the future of molecular string representations Mario Krenn Qianxiang Ai Senja Barthel Nessa Carson Angelo Frei ... Andrew Wang Andrew D. White Adamo Young Rose Yu A. Aspuru‐Guzik 89 161 0 31 Mar 2022
Physics Guided Deep Learning for Generative Design of Crystal Materials with Symmetry Constraints Yong Zhao Edirisuriya M Dilanga Siriwardane Zhenyao Wu Nihang Fu Mohammed Al-Fahdi Ming Hu Jianjun Hu AI4CE 73 77 0 27 Mar 2022
Spin-Dependent Graph Neural Network Potential for Magnetic Materials Hongyu Yu Yang Zhong Liangliang Hong Changsong Xu W. Ren X. Gong Hongjun Xiang 78 16 0 06 Mar 2022
Multiresolution Equivariant Graph Variational Autoencoder Truong-Son Hy Risi Kondor 63 20 0 02 Jun 2021