Results 171 to 180 of about 184,860 (271)

Multiscale Computational Enzymology of CYP450 Biotransformation of Organic Halogenated Pollutants: Methods and Environmental Perspectives. [PDF]

ACS Omega
Zhao M, Shen X, Wu J, Gao W.
europepmc   +1 more source

Generative AI‐Driven Accelerated Discovery of Passivation Molecules for Perovskite Solar Cells

Advanced Science, EarlyView.
A generative artificial intelligence (AI) framework combining a discriminative machine learning model (SMILES‐X) and a generative language model (GPT‐2) autonomously discovers new molecular passivators for perovskite solar cells (PSCs). Through an iterative design loop, over 100 000 candidates are generated and screened, and randomly selected molecules
Adroit T. N. Fajar, Guillaume Lambard, Jessie Manopo, Ruili Guo, Kevin Septioga, Rizfi F. Pari, Toshinori Matsushima, Zhanglin Guo   +7 more
wiley   +1 more source

Experimentally Self-Testing Partially Entangled Two-Qubit States on an Optical Platform. [PDF]

Entropy (Basel)
Zhao X, Yang YH, Zhao LM, Luo MX.
europepmc   +1 more source

Decoupling the Transparency‐Efficiency Trade‐Off in Semi‐Transparent Organic Solar Cells via Optimized Dual‐Channel Photoelectric Conversion

Advanced Science, EarlyView.
The respective roles of the heterojunction (HJ) and spontaneously formed photo‐charge (SP) channels in low‐donor‐content devices have been decoupled and subjected to a targeted optimization strategy. A breakthrough of light utilization efficiency (LUE) in semi‐transparent organic solar cells (ST‐OSCs) is achieved.
Yuyan Li, Shibo Wang, Heng Liu, Bonan Shi, Zhuoqiong Zhang, Yabing Tang, Yuting Song, Shu Kong So, Dongbin Dang, Han Yan, Xinhui Lu, Guilong Cai, Suojiang Zhang   +12 more
wiley   +1 more source

Quantum inspired feature engineering for explainable EEG signal classification. [PDF]

Sci Rep
Alotaibi FA, Yagmahan MSN, Alobaid KA, Jari M, Goktas OF, Baygin M, Dogan S, Tuncer T.   +7 more
europepmc   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Classical criticality via quantum annealing. [PDF]

Nat Commun
Sathe P, King AD, Mniszewski SM, Coffrin C, Nisoli C, Caravelli F.   +5 more
europepmc   +1 more source

Constraint of Lignin–Carbohydrate Complex Orchestrated on Polyphenol in Oil–Water Interface Targeting Ulcerative Colitis Therapy

Advanced Science, EarlyView.
This study constructed the W1/O/W2 emulsion–based targeted therapy delivery system for ulcerative colitis (UC) utilizing LCC as surfactant for the first time. This multifunctional emulsion offered certain therapeutic advantages for UC, including targeted colonic delivery of active compounds, synergistic modulation of gut microbiota through combined ...
Qian Wu, Xingyu Zhang, Jingjia Zhang, Gaohui Huang, Chen Zhou, Chunlin Li, Xiaojun Huang, Jianbo Xiao, Nianjie Feng, Yuanbin She   +9 more
wiley   +1 more source

Exploring Quantum-Inspired Encoding Strategies in Neuromorphic Systems for Affective State Recognition. [PDF]

Sensors (Basel)
Wang F, Liang X, Du X.
europepmc   +1 more source

Fabrication of High‐Density Multimodal Neural Probes Based on Heterogeneously Integrated CMOS

Advanced Science, EarlyView.
A chiplet‐based methodology democratizes active neural probe development on standard bulk CMOS services. This yields the first probe combining high‐density electrophysiology (416 electrodes) with calcium imaging (832 photodiodes) and complete on‐chip signal processing across 13 shanks.
Ju Hee Mun, Miji Kim, Wooyeon Shin, Yongjun Park, Kanghwan Kim, Il‐Joo Cho, Jae Won Shim, Min Soo Kim, Sunwoo Lee, Jeongjin Kim, Changhyuk Lee   +10 more
wiley   +1 more source