Pressure-induced spin reorientation transition in layered ferromagnetic insulator Z Lin, M Lohmann, ZA Ali, C Tang, J Li, W Xing, J Zhong, S Jia, W Han, ... Physical Review Materials 2 (5), 051004, 2018 | 85 | 2018 |
Indirect but efficient: laser-excited electrons can drive ultrafast polarization switching in ferroelectric materials C Lian, ZA Ali, H Kwon, BM Wong The journal of physical chemistry letters 10 (12), 3402-3407, 2019 | 41 | 2019 |
Harnessing Plasma Environments for Ammonia Catalysis: Mechanistic Insights from Experiments and Large-Scale Ab Initio Molecular Dynamics SS Yamijala, G Nava, ZA Ali, D Beretta, BM Wong, L Mangolini The Journal of Physical Chemistry Letters 11 (24), 10469-10475, 2020 | 31 | 2020 |
The diamine cation is not a chemical example where density functional theory fails ZA Ali, FW Aquino, BM Wong Nature communications 9 (1), 4733, 2018 | 31 | 2018 |
Photo-induced degradation of PFASs: Excited-state mechanisms from real-time time-dependent density functional theory SS Yamijala, R Shinde, K Hanasaki, ZA Ali, BM Wong Journal of hazardous materials 423, 127026, 2022 | 25 | 2022 |
Charge density wave hampers exciton condensation in C Lian, ZA Ali, BM Wong Physical Review B 100 (20), 205423, 2019 | 25 | 2019 |
Harnessing semi-supervised machine learning to automatically predict bioactivities of per-and polyfluoroalkyl substances (PFASs) H Kwon, ZA Ali, BM Wong Environmental Science & Technology Letters 10 (11), 1017-1022, 2022 | 21 | 2022 |
Predicting complex erosion profiles in steam distribution headers with convolutional and recurrent neural networks SD Yang, ZA Ali, H Kwon, BM Wong Industrial & Engineering Chemistry Research 61 (24), 8520-8529, 2022 | 19 | 2022 |
Acceleration vs accuracy: Influence of basis set quality on the mechanism and dynamics predicted by ab initio molecular dynamics SS Yamijala, ZA Ali, BM Wong The Journal of Physical Chemistry C 123 (41), 25113-25120, 2019 | 14 | 2019 |
Fluid-gpt (fast learning to understand and investigate dynamics with a generative pre-trained transformer): Efficient predictions of particle trajectories and erosion SD Yang, ZA Ali, BM Wong Industrial & Engineering Chemistry Research 62 (37), 15278-15289, 2023 | 10 | 2023 |
Efficient predictions of formation energies and convex hulls from density functional tight binding calculations A Kumar, ZA Ali, BM Wong Journal of Materials Science & Technology 141, 236-244, 2023 | 10 | 2023 |
An MM and QM Study of Biomimetic Catalysis of Diels-Alder Reactions Using Cyclodextrins W Chen, L Sun, Z Tang, ZA Ali, BM Wong, CA Chang Catalysts 8 (2), 51, 2018 | 9 | 2018 |
Charge-density induced discrimination of halides with a rigid dinuclear copper (II) complex MM Rhaman, MH Hasan, ZA Ali, DR Powell, R Tandon, BM Wong, ... Molecular Systems Design & Engineering 5 (5), 996-1002, 2020 | 8 | 2020 |
Implementation of real‐time TDDFT for periodic systems in the open‐source PySCF software package K Hanasaki, ZA Ali, M Choi, M Del Ben, BM Wong Journal of Computational Chemistry 44 (9), 980-987, 2023 | 6 | 2023 |
A review of emerging photoinduced degradation methods for per-and polyfluoroalkyl substances in water ZA Ali, SS Yamijala, BM Wong Current Opinion in Chemical Engineering 41, 100947, 2023 | 4 | 2023 |
Advanced Computational Methods for Ground and Excited States to Study Complex Systems ZA Ali University of California, Riverside, 2022 | 1 | 2022 |
A Review of Emerging Photo-Induced Degradation Methods for Per-and Polyfluoroalkyl Substances (PFAS) in Water Z Ali, S Yamijala, B Wong | | 2023 |