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Zulfikhar A. Ali
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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
852018
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
412019
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
312020
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
312018
Charge density wave hampers exciton condensation in
C Lian, ZA Ali, BM Wong
Physical Review B 100 (20), 205423, 2019
262019
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
252022
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
212022
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
192022
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
142019
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
102023
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
102023
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
92018
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
82020
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
62023
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
42023
Advanced Computational Methods for Ground and Excited States to Study Complex Systems
ZA Ali
University of California, Riverside, 2022
12022
A Review of Emerging Photo-Induced Degradation Methods for Per-and Polyfluoroalkyl Substances (PFAS) in Water
Z Ali, S Yamijala, B Wong
2023
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Articles 1–17