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An invertible crystallographic representation for general inverse design
  of inorganic crystals with targeted properties

An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties

15 May 2020
Zekun Ren
S. Tian
Juhwan Noh
Felipe Oviedo
G. Xing
Jiali Li
Qiaohao Liang
Ruiming Zhu
A. Aberle
Shijing Sun
Xiaonan Wang
Yi Liu
Qianxiao Li
Senthilnath Jayavelu
K. Hippalgaonkar
Yousung Jung
Tonio Buonassisi
    AI4CE
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Papers citing "An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties"

12 / 12 papers shown
Title
Design Topological Materials by Reinforcement Fine-Tuned Generative Model
Design Topological Materials by Reinforcement Fine-Tuned Generative Model
Haosheng Xu
Dongheng Qian
Zhixuan Liu
Yadong Jiang
Jing Wang
34
1
0
17 Apr 2025
Hypothesis Generation for Materials Discovery and Design Using Goal-Driven and Constraint-Guided LLM Agents
Hypothesis Generation for Materials Discovery and Design Using Goal-Driven and Constraint-Guided LLM Agents
Shrinidhi Kumbhar
Venkatesh Mishra
Kevin Coutinho
Divij Handa
Ashif Iquebal
Chitta Baral
78
5
0
23 Jan 2025
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
N. Kim
Seongsu Kim
Minsu Kim
Jinkyoo Park
Sungsoo Ahn
AI4CE
41
0
0
07 Oct 2024
Generative Inverse Design of Crystal Structures via Diffusion Models
  with Transformers
Generative Inverse Design of Crystal Structures via Diffusion Models with Transformers
Izumi Takahara
Kiyou Shibata
Teruyasu Mizoguchi
DiffM
AI4CE
34
2
0
13 Jun 2024
Scalable Diffusion for Materials Generation
Scalable Diffusion for Materials Generation
Mengjiao Yang
KwangHwan Cho
Amil Merchant
Pieter Abbeel
Dale Schuurmans
Igor Mordatch
E. D. Cubuk
29
39
0
18 Oct 2023
Diffusion probabilistic models enhance variational autoencoder for
  crystal structure generative modeling
Diffusion probabilistic models enhance variational autoencoder for crystal structure generative modeling
T. Pakornchote
Natthaphon Choomphon-anomakhun
Sorrjit Arrerut
C. Atthapak
S. Khamkaeo
Thiparat Chotibut
T. Bovornratanaraks
DiffM
29
17
0
04 Aug 2023
Closed-loop Error Correction Learning Accelerates Experimental Discovery
  of Thermoelectric Materials
Closed-loop Error Correction Learning Accelerates Experimental Discovery of Thermoelectric Materials
Hitarth Choubisa
Md Azimul Haque
Tong Zhu
Lewei Zeng
Maral Vafaie
Derya Baran
E. Sargent
12
1
0
26 Feb 2023
Capturing long-range interaction with reciprocal space neural network
Capturing long-range interaction with reciprocal space neural network
Hongyu Yu
Liangliang Hong
Shiyou Chen
X. Gong
Hongjun Xiang
29
11
0
30 Nov 2022
Artificial Intelligence in Material Engineering: A review on
  applications of AI in Material Engineering
Artificial Intelligence in Material Engineering: A review on applications of AI in Material Engineering
Lipichanda Goswami
Manoj Deka
Mohendra Roy
AI4CE
37
19
0
15 Sep 2022
Data-driven discovery of novel 2D materials by deep generative models
Data-driven discovery of novel 2D materials by deep generative models
Peder Lyngby
K. Thygesen
DiffM
11
68
0
24 Jun 2022
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
Yong Zhao
Edirisuriya M Dilanga Siriwardane
Zhenyao Wu
Nihang Fu
Mohammed Al-Fahdi
Ming Hu
Jianjun Hu
AI4CE
36
68
0
27 Mar 2022
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
224
1,340
0
12 Feb 2018
1