Results 191 to 200 of about 12,936,285 (295)

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source

A Molecular Engineering Strategy to Fine‐Tune Phototoxicity of AIE Probes for Super‐Resolution Imaging of Mitochondrial Cristae Dynamics

Advanced Science, EarlyView.
Regulation of molecular packing, phototoxicity, and ROS output of AIE photosensitizers is achieved through carboxylation and alkyl‐chain‐length tuning. The probe designed via this strategy enables super‐resolution visualization of inner‐mitochondrial‐membrane cristae dynamics under controlled oxidative stress, and fluorescence‐lifetime imaging of ...
Kongqi Chen, Mengjie Wang, Chuen Kam, Zhiming Wang, Qinrong Zhang, Sijie Chen   +5 more
wiley   +1 more source

Reliability-Aware Cross-Modal Learning Behavior Sensing for Student Cognitive Bias Recognition and Teaching-Oriented Psychological Risk Warning. [PDF]

Sensors (Basel)
Xu L, Jiang C, Lin M, Zhan Y.
europepmc   +1 more source

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Deciphering Short‐Range Order in 2D Transition Metal Dichalcogenides: From Origin to Multi‐Scale Property Modulation

Advanced Science, EarlyView.
Short‐range order in 2D transition metal dichalcogenides is revealed as a new design paradigm. Driven by chemical affinity and atomic size, it governs properties across scales. Weak ordering tunes site‐resolved magnetism and d‐band centers, while strong ordering eliminates gap states to open band gaps.
Hanyu Liu, Linggang Zhu, Jian Zhou, Zhimei Sun   +3 more
wiley   +1 more source

Accurate Solution-Phase Thermodynamics via Composite Quantum Chemistry and Machine Learning: Application to Biomass Decomposition. [PDF]

J Comput Chem
Fujinami M, Okubo A, Ogo S, Onda A, Nakai H.   +4 more
europepmc   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Brain-AI convergence: Generative world models and hierarchical attention for human intelligence. [PDF]

Patterns (N Y)
Ohmae S, Ohmae K.
europepmc   +1 more source

Broadening Hard‐Magnet Discovery Beyond Symmetry Constraints via Unified Effective Anisotropy

Advanced Science, EarlyView.
A unified effective‐anisotropy descriptor (Keff) extends hard‐magnet screening across all seven crystal systems, beyond the uniaxial restriction of conventional searches. Machine‐learning screening of 9320 known ferromagnets and diffusion‐model generation together yield 38 rare‐earth‐free or ‐lean candidates with DFT‐validated magnetic hardness (κ > 1),
Hojae Kim, Hyeondeok Shin, Kyungju Nam, Seunghyo Noh, Donghwi Kim, Yousung Jung   +5 more
wiley   +1 more source

Latent persistence in fMRI dynamics during human memory consolidation. [PDF]

Neuroimage Rep
Bartzioka M, Khosravi M.
europepmc   +1 more source