Yuyang Wang

Materials Research Center — India

Materials Science · Physical Sciences

17h-index1.7kcitations43works5.52yr avg
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Research Topics

Machine Learning in Materials Science(18), Computational Drug Discovery Methods(14), Protein Structure and Dynamics(10), X-ray Diffraction in Crystallography(4), Nanopore and Nanochannel Transport Studies(3)

Publications43 total

SimpleFold: Folding Proteins is Simpler than You Think
arXiv (Cornell University)·2025· 1 citedOpen Access
A study of watermarking techniques for data publishing
Multimedia Tools and Applications·2025
An underwater TDOA location algorithm based on AUV assistance
2025
Lower Bound on the Representation Complexity of Antisymmetric Tensor Product Functions
arXiv (Cornell University)·2025Open Access
An organic electrochemical neuron for a neuromorphic perception system
Proceedings of the National Academy of Sciences·2025· 29 citedOpen Access
Don’t Abandon the Primary Key: A High-Synchronization and Robust Virtual Primary Key Scheme for Watermarking Relational Databases
Lecture notes in computer science·2024· 3 cited
Swallowing the Bitter Pill: Simplified Scalable Conformer Generation
arXiv (Cornell University)·2023· 6 citedOpen Access
Neural network predicts ion concentration profiles under nanoconfinement
The Journal of Chemical Physics·2023· 2 cited
Underwater Acoustic Target Recognition Based on Deep Residual Attention Convolutional Neural Network
Journal of Marine Science and Engineering·2023· 13 citedOpen Access
Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials
Journal of Chemical Theory and Computation·2023· 25 citedOpen Access
Airfoil GAN: encoding and synthesizing airfoils for aerodynamic shape optimization
Journal of Computational Design and Engineering·2023· 44 citedOpen Access
TransPolymer: a Transformer-based language model for polymer property predictions
npj Computational Materials·2023· 162 citedOpen Access
Neural Network Predicts Ion Concentration Profiles under Nanoconfinement
arXiv (Cornell University)·2023Open Access
Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials
arXiv (Cornell University)·2023Open Access
MOFormer: Self-Supervised Transformer Model for Metal–Organic Framework Property Prediction
Journal of the American Chemical Society·2023· 141 citedOpen Access
Graph Neural Networks for Molecules
Challenges and advances in computational chemistry and physics·2023· 57 cited
Graph Unlearning Using Knowledge Distillation
Lecture notes in computer science·2023· 1 cited
Predicting CO<sub>2</sub> Absorption in Ionic Liquids with Molecular Descriptors and Explainable Graph Neural Networks
ACS Sustainable Chemistry & Engineering·2022· 53 cited
Crystal twins: self-supervised learning for crystalline material property prediction
npj Computational Materials·2022· 59 citedOpen Access
MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction
arXiv (Cornell University)·2022· 2 citedOpen Access
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Frequent Co-authors

Amir Barati Farimani(29), Zhonglin Cao(10), Rishikesh Magar(10), Cooper Lorsung(6), Changwen Xu(4), Hariharan Ramasubramanian(4), Zijie Li(3), Peiyuan Li(3), Prakarsh Yadav(3), Ali Caner Türkmen(3), Tim Januschowski(3), Jianren Wang(2), Liang Chen(2), Kenji Shimada(2), Parisa Mollaei(2), Ali Taylan Cemgil(2), Navdeep Jaitly(2), Miguel Ángel Bautista(2), Liang Chen(2), Ke Yang(2)