| General synthesis of single-atom catalysts with high metal loading using graphene quantum dots C Xia, Y Qiu, Y Xia, P Zhu, G King, X Zhang, Z Wu, JY Kim, DA Cullen, ... Nature chemistry 13 (9), 887-894, 2021 | 499 | 2021 |
| Surface plasmon enabling nitrogen fixation in pure water through a dissociative mechanism under mild conditions C Hu, X Chen, J Jin, Y Han, S Chen, H Ju, J Cai, Y Qiu, C Gao, C Wang, ... Journal of the American Chemical Society 141 (19), 7807-7814, 2019 | 297 | 2019 |
| Efficient photoelectrochemical CO2 conversion for selective acetic acid production X Wang, C Gao, J Low, K Mao, D Duan, S Chen, R Ye, Y Qiu, J Ma, ... Science Bulletin 66 (13), 1296-1304, 2021 | 50 | 2021 |
| Integrative generalized master equation: A method to study long-timescale biomolecular dynamics via the integrals of memory kernels S Cao, Y Qiu, ML Kalin, X Huang The Journal of Chemical Physics 159 (13), 2023 | 25 | 2023 |
| GraphVAMPnets for uncovering slow collective variables of self-assembly dynamics B Liu, M Xue, Y Qiu, KA Konovalov, MS O’Connor, X Huang The Journal of Chemical Physics 159 (9), 2023 | 22 | 2023 |
| An efficient path classification algorithm based on variational autoencoder to identify metastable path channels for complex conformational changes Y Qiu, MS O’Connor, M Xue, B Liu, X Huang Journal of chemical theory and computation 19 (14), 4728-4742, 2023 | 17 | 2023 |
| Kinetic network models to study molecular self-assembly in the wake of machine learning B Liu, Y Qiu, EC Goonetilleke, X Huang MRS Bulletin 47 (9), 958-966, 2022 | 14 | 2022 |
| Information bottleneck approach for Markov model construction D Wang, Y Qiu, ER Beyerle, X Huang, P Tiwary Journal of chemical theory and computation 20 (12), 5352-5367, 2024 | 12 | 2024 |
| Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes Y Wu, S Cao, Y Qiu, X Huang The Journal of Chemical Physics 160 (12), 2024 | 11 | 2024 |
| Disease mutations and phosphorylation alter the allosteric pathways involved in autoinhibition of protein phosphatase 2A KA Konovalov, CG Wu, Y Qiu, VK Balakrishnan, PS Parihar, MS O’Connor, ... The Journal of Chemical Physics 158 (21), 2023 | 8 | 2023 |
| The ion-dipole correction of the 3DRISM solvation model to accurately compute water distributions around negatively charged biomolecules S Cao, Y Qiu, IC Unarta, EC Goonetilleke, X Huang The Journal of Physical Chemistry B 126 (43), 8632-8645, 2022 | 6 | 2022 |
| A step-by-step guide on how to construct quasi-Markov state models to study functional conformational changes of biological macromolecules AK Yik, Y Qiu, IC Unarta, S Cao, X Huang | 6 | 2022 |
| Non-Markovian Dynamic Models Identify Non-Canonical KRAS-VHL Encounter Complex Conformations for Novel PROTAC Design Y Qiu, RP Wiewiora, JA Izaguirre, H Xu, W Sherman, W Tang, X Huang JACS Au 4 (10), 3857-3868, 2024 | 4 | 2024 |
| Nucleosome condensate and linker DNA alter chromatin folding pathways and rates Y Qiu, S Liu, L Xingcheng, IC Unarta, X Huang, B Zhang bioRxiv, 2024 | 1 | 2024 |
| Unsupervised machine learning for supercooled liquids Y Qiu, I Jang, X Huang, A Yethiraj arXiv preprint arXiv:2404.04473, 2024 | | 2024 |
| Markov state modeling reveals chromatin destabilization in nucleosome condensates Y Qiu, S Liu, X Lin, IC Unarta, X Huang, B Zhang Biophysical Journal 123 (3), 231a, 2024 | | 2024 |
| Modeling Dynamics of Multi-Body Systems via Machine Learning and Non-Markovian Approaches Y Qiu The University of Wisconsin-Madison, 2024 | | 2024 |
Xuhui HuangHirschfelder Chair in Theoretical Chemistry, University of Wisconsin-Madison (previously at HKUST)Verified email at chem.wisc.edu
