Butterfly factorization Y Li, H Yang, ER Martin, KL Ho, L Ying Multiscale Modeling & Simulation 13 (2), 714-732, 2015 | 85 | 2015 |
Product-specific active site motifs of Cu for electrochemical CO2 reduction C Zhu, Z Zhang, L Zhong, CS Hsu, X Xu, Y Li, S Zhao, S Chen, J Yu, ... Chem 7 (2), 406-420, 2021 | 83 | 2021 |
Strong catalyst–support interactions in electrochemical oxygen evolution on Ni–Fe layered double hydroxide H Gu, G Shi, HC Chen, S Xie, Y Li, H Tong, C Yang, C Zhu, JT Mefford, ... ACS Energy Letters 5 (10), 3185-3194, 2020 | 50 | 2020 |
ELSI—An open infrastructure for electronic structure solvers VW Yu, C Campos, W Dawson, A García, V Havu, B Hourahine, WP Huhn, ... Computer Physics Communications 256, 107459, 2020 | 44 | 2020 |
Coordinate descent full configuration interaction Z Wang, Y Li, J Lu Journal of chemical theory and computation 15 (6), 3558-3569, 2019 | 43 | 2019 |
Variational training of neural network approximations of solution maps for physical models Y Li, J Lu, A Mao Journal of Computational Physics 409, 109338, 2020 | 38 | 2020 |
Universal approximation of symmetric and anti-symmetric functions J Han, Y Li, L Lin, J Lu, J Zhang, L Zhang arXiv preprint arXiv:1912.01765, 2019 | 37 | 2019 |
Interpolative butterfly factorization Y Li, H Yang SIAM Journal on Scientific Computing 39 (2), A503-A531, 2017 | 35 | 2017 |
Accelerating excitation energy computation in molecules and solids within linear-response time-dependent density functional theory via interpolative separable density fitting … W Hu, J Liu, Y Li, Z Ding, C Yang, J Yang Journal of Chemical Theory and Computation 16 (2), 964-973, 2020 | 31 | 2020 |
Block basis factorization for scalable kernel evaluation R Wang, Y Li, MW Mahoney, E Darve SIAM Journal on Matrix Analysis and Applications 40 (4), 1497-1526, 2019 | 31* | 2019 |
Distributed-memory hierarchical interpolative factorization Y Li, L Ying Research in the Mathematical Sciences 4, 1-23, 2017 | 30 | 2017 |
A stochastic version of Stein variational gradient descent for efficient sampling L Li, Y Li, JG Liu, Z Liu, J Lu Communications in Applied Mathematics and Computational Science 15 (1), 37-63, 2020 | 28 | 2020 |
The CECAM electronic structure library and the modular software development paradigm MJT Oliveira, N Papior, Y Pouillon, V Blum, E Artacho, D Caliste, ... The Journal of chemical physics 153 (2), 2020 | 27 | 2020 |
Coordinatewise descent methods for leading eigenvalue problem Y Li, J Lu, Z Wang SIAM Journal on Scientific Computing 41 (4), A2681-A2716, 2019 | 27 | 2019 |
Multidimensional butterfly factorization Y Li, H Yang, L Ying Applied and Computational Harmonic Analysis 44 (3), 737-758, 2018 | 26 | 2018 |
Quantifying and elucidating thermally enhanced minority carrier diffusion length using radius-controlled rutile nanowires L Zhang, L Sun, Z Guan, S Lee, Y Li, HD Deng, Y Li, NL Ahlborg, ... Nano Letters 17 (9), 5264-5272, 2017 | 25 | 2017 |
Butterfly-Net: Optimal function representation based on convolutional neural networks Y Li, X Cheng, J Lu arXiv preprint arXiv:1805.07451, 2018 | 21 | 2018 |
On the numerical rank of radial basis function kernels in high dimensions R Wang, Y Li, E Darve SIAM Journal on Matrix Analysis and Applications 39 (4), 1810-1835, 2018 | 20 | 2018 |
A multiscale butterfly algorithm for multidimensional Fourier integral operators Y Li, H Yang, L Ying Multiscale Modeling & Simulation 13 (2), 614-631, 2015 | 16 | 2015 |
Improving the accuracy of variational quantum eigensolvers with fewer qubits using orbital optimization J Bierman, Y Li, J Lu Journal of Chemical Theory and Computation 19 (3), 790-798, 2023 | 14 | 2023 |