logo
CanyamAI summaries for academic research
language
MobileMobile
  • Phone FeatureWeChat Mini Program
EnglishEnglish
noticeNotice
BlogBlog
delete
arrow
Back
Y

Yuanqi Du

  cornell university

20H-index
114Paper Count
2.9KCitation Count
Published Papers 12
Publication Date
logo
The rise of generative AI for metal-organic framework design and synthesis
errMatter
IF17.5
err2026-03-30
err0
errOAAI
errChenru Duan; Aditya Nandy; Shyam Chand Pal; Xin Yang; Wenhao Gao; Yuanqi Du; Hendrik Kraß; Yeonghun Kang; Varinia Bernales; Zuyang Ye; Tristan Pyle; Ray Yang; Zeqi Gu; Philippe Schwaller; Shengqian Ma; Shijing Sun; Alán Aspuru-Guzik; Seyed Mohamad Moosavi; Robert Wexler; Zhiling Zheng
errShare
errSave
Efficient Deep Generative Models for Spatial Networks via Spanning Tree Sampler
errACM Transactions on Knowledge Discovery from Data
IF4.8
err2026-01-01
err0
PREAI
errGuo, Xiaojie; Du, Yuanqi; Zhang, Zheng; Zhao, Liang
errShare
errSave
AlphaNet: scaling up local-frame-based neural network interatomic potentials
errnpj Computational Materials
IF11.9
err2025-11-17
err0
errOAAI
errBangchen Yin; Jiaao Wang; Weitao Du; Pengbo Wang; Penghua Ying; Haojun Jia; Zisheng Zhang; Yuanqi Du; Carla Gomes; Chenru Duan; Graeme Henkelman; Hai Xiao
errShare
errSave
Optimal transport for generating transition states in chemical reactions
errNATURE MACHINE INTELLIGENCE
IF23.9
err2025-04-23
err0
errOAAI
errDuan, Chenru; Liu, Guan-Horng; Du, Yuanqi; Chen, Tianrong; Zhao, Qiyuan; Jia, Haojun; Gomes, Carla P.; Theodorou, Evangelos A.; Kulik, Heather J.
errShare
errSave
Structure-based drug design with equivariant diffusion models
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2024-12-09
err0
errOAAI
errSchneuing, Arne; Harris, Charles; Du, Yuanqi; Didi, Kieran; Jamasb, Arian; Igashov, Ilia; Du, Weitao; Gomes, Carla; Blundell, Tom L.; Lio, Pietro; Welling, Max; Bronstein, Michael; Correia, Bruno
errShare
errSave
Machine learning-aided generative molecular design
errNATURE MACHINE INTELLIGENCE
IF23.9
err2024-06-18
err11
PREAI
errDu, Yuanqi; Jamasb, Arian R.; Guo, Jeff; Fu, Tianfan; Harris, Charles; Wang, Yingheng; Duan, Chenru; Lio, Pietro; Schwaller, Philippe; Blundell, Tom L.
errShare
errSave
Controllable Data Generation by Deep Learning: A Review
errACM COMPUTING SURVEYS
IF28
err2024-04-25
err5
errOAAI
errWang, Shiyu; Du, Yuanqi; Guo, Xiaojie; Pan, Bo; Qin, Zhaohui; Zhao, Liang
errShare
errSave
Molecular Contrastive Pretraining with Collaborative Featurizations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-02-05
err1
PREAI
errZhu, Yanqiao; Chen, Dingshuo; Du, Yuanqi; Wang, Yingze; Liu, Qiang; Wu, Shu
errShare
errSave
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-12-15
err12
PREAI
errDuan, Chenru; Du, Yuanqi; Jia, Haojun; Kulik, Heather J.
errShare
errSave
Generative Adversarial Learning of Protein Tertiary Structures
errMOLECULES
IF4.6
err2021-02-24
err14
errOAAI
errRahman, Taseef; Du, Yuanqi; Zhao, Liang; Shehu, Amarda
errShare
errSave
Monolithically integrated InP-based photonic chip development for O-CDMA systems
errIEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS
IF5.1
err2005-01-01
err51
PREAI
errJi, C; Broeke, RG; Du, Y; Cao, J; Chubun, N; Bjeletich, P; Olsson, F; Lourdudoss, S; Welty, R; Reinhardt, C; Stephan, PL; Yoo, SJB
errShare
errSave
Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge and Reasoning Capability of Large Language Models
errJournal of the American Chemical Society
IF15.6
err
err0
PREAI
errJieyu Lu; Zhangde Song; Qiyuan Zhao; Yuanqi Du; Yirui Cao; Haojun Jia; Chenru Duan
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
S
Shengqian Ma
H-index: 126 · Papers: 640
A
Alán Aspuru‐Guzik
H-index: 114 · Papers: 933
T
Tom L. Blundell
H-index: 112 · Papers: 736
G
Graeme Henkelman
H-index: 89 · Papers: 465
M
Max Welling
H-index: 86 · Papers: 523
View more