Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond H Zhai, HR Larsson, S Lee, ZH Cui, T Zhu, C Sun, L Peng, R Peng, K Liao, ... The Journal of Chemical Physics 159 (23), 2023 | 58 | 2023 |
Nanoscale chemical imaging of zeolites using atom probe tomography JE Schmidt, L Peng, JD Poplawsky, BM Weckhuysen Angewandte Chemie International Edition 57 (33), 10422-10435, 2018 | 42 | 2018 |
Isolating clusters of light elements in molecular sieves with atom probe tomography JE Schmidt, L Peng, AL Paioni, HL Ehren, W Guo, B Mazumder, ... Journal of the American Chemical Society 140 (29), 9154-9158, 2018 | 31 | 2018 |
Fermionic reduced density low-rank matrix completion, noise filtering, and measurement reduction in quantum simulations L Peng, X Zhang, GKL Chan Journal of Chemical Theory and Computation 19 (24), 9151-9160, 2023 | 9 | 2023 |
Towards an exact electronic quantum many-body treatment of Kondo correlation in magnetic impurities T Zhu, L Peng, H Zhai, ZH Cui, GK Chan arXiv preprint arXiv:2405.18709, 2024 | 5 | 2024 |
Nanoskalige chemische Bildgebung von Zeolithen durch Atomsondentomographie JE Schmidt, L Peng, JD Poplawsky, BM Weckhuysen Angewandte Chemie 130 (33), 10580-10593, 2018 | 1 | 2018 |
Crystal field Hamiltonians of molecular qubits from generalized spin-orbital DFT L Peng, S Liu, X Zhang, X Chen, H Zhai, H Cheng, GK Chan Bulletin of the American Physical Society, 2024 | | 2024 |
Quantitative many-body electronic structure of CaCuO2 and LaNiO2 from all-orbital DMFT L Peng, H Zhai, T Zhu, G Chan APS March Meeting Abstracts 2023, F59. 012, 2023 | | 2023 |
From fragments to whole systems: many-electron density matrices with tensor completions L Peng, X Zhang, Z Cui, GK Chan ACS Spring Meeting Abstract 2022, ID 3659565, 2022 | | 2022 |
Program for Three-Dimensional Quantification of Elemental Segregation to Surfaces in Large APT Datasets L Peng, J Poplawsky MRS Spring Meeting Abstract 2019, GI01.04, 2019 | | 2019 |