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Zulfikhar A. Ali
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引用次数
引用次数
年份
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
812018
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
392019
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
302018
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
262020
Charge density wave hampers exciton condensation in
C Lian, ZA Ali, BM Wong
Physical Review B 100 (20), 205423, 2019
242019
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
232022
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
172022
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
152022
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
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
82023
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
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
72023
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
72018
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
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
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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