Physics Guided Deep Learning for Generative Design of Crystal Materials
with Symmetry Constraints

Physics Guided Deep Learning for Generative Design of Crystal Materials with Symmetry Constraints

27 March 2022

Edirisuriya M Dilanga Siriwardane

Mohammed Al-Fahdi

Papers citing "Physics Guided Deep Learning for Generative Design of Crystal Materials with Symmetry Constraints"

12 / 12 papers shown

Title
Design Topological Materials by Reinforcement Fine-Tuned Generative Model Haosheng Xu Dongheng Qian Zhixuan Liu Yadong Jiang Jing Wang 24 1 0 17 Apr 2025
Towards an automated workflow in materials science for combining multi-modal simulative and experimental information using data mining and large language models Balduin Katzer Steffen Klinder Katrin Schulz AI4CE 56 0 0 24 Feb 2025
Efficient Symmetry-Aware Materials Generation via Hierarchical Generative Flow Networks T. Nguyen Sherif Abdulkader Tawfik Truyen Tran Sunil Gupta Santu Rana Svetha Venkatesh 20 0 0 06 Nov 2024
Space Group Constrained Crystal Generation Rui Jiao Wenbing Huang Yu Liu Deli Zhao Yang Liu 11 27 0 06 Feb 2024
Generative Design of Crystal Structures by Point Cloud Representations and Diffusion Model Zhelin Li Rami Mrad Runxian Jiao Guan Huang Jun Shan Shibing Chu Yuanping Chen 21 1 0 24 Jan 2024
ADA-GNN: Atom-Distance-Angle Graph Neural Network for Crystal Material Property Prediction Jiao Huang Qianli Xing Jinglong Ji Bo Yang 20 3 0 22 Jan 2024
Structure-based out-of-distribution (OOD) materials property prediction: a benchmark study Sadman Sadeed Omee Nihang Fu Rongzhi Dong Ming Hu Jianjun Hu OOD 13 17 0 16 Jan 2024
Vector Field Oriented Diffusion Model for Crystal Material Generation Astrid Klipfel Yael Fregier A. Sayede Zied Bouraoui DiffM 13 4 0 20 Dec 2023
PerCNet: Periodic Complete Representation for Crystal Graphs Jiao Huang Qianli Xing Jinglong Ji Bo Yang 24 1 0 03 Dec 2023
Data-Driven Score-Based Models for Generating Stable Structures with Adaptive Crystal Cells Arsen Sultanov J. Crivello Tabea Rebafka Nataliya Sokolovska DiffM 20 6 0 16 Oct 2023
Evaluating the diversity and utility of materials proposed by generative models Alexander New Michael Pekala Elizabeth A. Pogue Nam Q. Le Janna Domenico C. Piatko Christopher D. Stiles AI4CE 17 1 0 09 Aug 2023
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