| Discovery of quantitative electronic structure‐OER activity relationship in metal‐organic framework electrocatalysts using an integrated theoretical‐experimental approach J Zhou, Z Han, X Wang, H Gai, Z Chen, T Guo, X Hou, L Xu, X Hu, ... Advanced Functional Materials 31 (33), 2102066, 2021 | 130 | 2021 |
| Evolution of precipitate and precipitate/matrix interface in Al-Zn-Mg-Cu (-Ag) alloys X Zhang, Z Han, L Xu, H Ni, X Hu, H Zhou, Y Zou, J Wang Journal of Materials Science & Technology 138, 157-170, 2023 | 19 | 2023 |
| Facet-engineering of NH 2-UiO-66 with enhanced photocatalytic hydrogen production performance X Shi, X Lian, D Yang, X Hu, J Zhang, XH Bu Dalton Transactions 50 (48), 17953-17959, 2021 | 17 | 2021 |
| Anomalous behavior of membrane fluidity caused by copper-copper bond coupled phospholipids X Jiang, J Zhang, B Zhou, P Li, X Hu, Z Zhu, Y Tan, C Chang, J Lü, ... Scientific Reports 8 (1), 14093, 2018 | 15 | 2018 |
| Benchmarking polarizable and non-polarizable force fields for Ca2+–peptides against a comprehensive QM dataset KS Amin, X Hu, DR Salahub, C Baldauf, C Lim, S Noskov The Journal of Chemical Physics 153 (14), 2020 | 14 | 2020 |
| Synchrotron FTIR spectroscopy reveals molecular changes in Escherichia coli upon Cu2+ exposure XJ Hu, ZX Liu, YD Wang, XL Li, J Hu, JH Lü Nuclear Science and Techniques 27 (3), 56, 2016 | 12 | 2016 |
| Synergistic Regulation of Phonon and Electronic Properties to Improve the Thermoelectric Performance of Chalcogenide CuIn1−xGaxTe2:yInTe (x = 0–0.3 … M Li, Y Luo, X Hu, G Cai, Z Han, Z Du, J Cui Advanced Electronic Materials 6 (2), 1901141, 2020 | 6 | 2020 |
| Better force fields start with better data: A data set of cation dipeptide interactions X Hu, MO Lenz-Himmer, C Baldauf Scientific Data 9 (1), 327, 2022 | 5 | 2022 |
| Data analytics accelerates the experimental discovery of Cu 1− x Ag x GaTe 2 based thermoelectric chalcogenides with high figure of merit Y Zhong, X Hu, D Sarker, X Su, Q Xia, L Xu, C Yang, X Tang, ... Journal of Materials Chemistry A 11 (35), 18651-18659, 2023 | 4 | 2023 |
| Co-regulation of the copper vacancy concentration and point defects leading to the enhanced thermoelectric performance of Cu 3 In 5 Te 9-based chalcogenides M Li, Y Luo, X Hu, Z Han, X Liu, J Cui RSC advances 9 (54), 31747-31752, 2019 | 4 | 2019 |
| System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields X Hu, KS Amin, M Schneider, C Lim, D Salahub, C Baldauf Journal of Chemical Theory and Computation, 2024 | 1 | 2024 |
| Metal Cations in Protein Force Fields: From Data Set Creation and Benchmarks to Polarizable Force Field Implementation and Adjustment X Hu | | 2023 |
Carsten BaldaufFritz-Haber-Institut der MPGVerified email at fhi-berlin.mpg.de
