Results 221 to 230 of about 316,679 (279)

PairReg: A method for enhancing the learning of molecular structure representation in equivariant graph neural networks. [PDF]

PLoS One
Ren Z, Liu Y, Zhang S.
europepmc   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

MXtalTools: A Toolkit for Machine Learning on Molecular Crystals. [PDF]

J Chem Inf Model
Kilgour M, Tuckerman ME, Rogal J.
europepmc   +1 more source

Assembling a True “Olympic Gel” From over 16 000 Combinatorial DNA Rings

Advanced Materials, EarlyView.
Olympic gels are an elusive class of soft matter, consisting of molecular networks held together purely by mechanically interlocked rings. Their topological structure promises unique properties and functions, but their synthesis has proven notoriously difficult.
Sarah K. Speed, Yu‐Hsuan Peng, Azra Atabay, Krishna Gupta, Toni Müller, Carolin Fischer, Ilka M. Hermes, Jens‐Uwe Sommer, Michael Lang, Elisha Krieg   +9 more
wiley   +1 more source

Enhanced sentiment analysis in tourism reviews via multimodal graph convolutional networks. [PDF]

PLoS One
Yang W, Xue Z, Fu G, Chen G, Yang C.
europepmc   +1 more source

2D Nanomaterials Toward Function‐Ready Superlubricity in Advanced Microsystems

Advanced Materials, EarlyView.
A unified framework links structural and transformation superlubricity with microsystem functions and deployment requirements. Mechanisms, device architectures, integration strategies, AI‐guided discovery, and benchmarking protocols are connected to define function‐ready superlubricity in advanced microsystems.
Yushan Geng, Jun Yang, Yong Yang
wiley   +1 more source

Prediction of minimum inhibitory concentration of antibacterial peptides using geometric graph networks and dynamic loss functions. [PDF]

Brief Bioinform
Bin Y, Li J, Cao R, Wei P, Zheng C.
europepmc   +1 more source

Viral Infection‐Inspired Autonomous Detection of Fusion‐Competent Viruses for Screening and Environmental Surveillance

Advanced Materials, EarlyView.
Inspired by viral entry mechanisms, the FUSION assay enables autonomous detection of respiratory viruses via membrane fusion–triggered CRISPR‐Cas13a activation. VEACON selectively fuses with fusion‐competent viruses, triggering fluorescence within confined vesicles.
Jae Chul Park, Yidam Song, Hyun‐Woo Choi, Jaeuk Sung, Harin Jin, WonSeok Gwak, Kirim Yoo, Soohwang Lee, Jongeon Park, Jeongmin Kim, Hye‐Jun Jo, Jahyun Koo, Youngdo Jeong, Kwan Hyi Lee, Seung‐Jung Kee, Hojun Kim   +15 more
wiley   +1 more source

3D Molecule Generation via Diffusion Model with a Self-Attention-Based EGNN. [PDF]

ACS Omega
Yang H, Zhong Q, Wang M, Peng J, Shen D.
europepmc   +1 more source

Large‐Area 2D Metasurface‐Based Triboelectric E‐Skin Arrays: Contact & Proximity Tactile Mapping with Broadband Acoustic Readouts

Advanced Materials, EarlyView.
Metasurface‐engineered NC‐TENG arrays integrate tactile pressure mapping, non‐contact gesture sensing, and acoustic signal readouts in one ultrathin module, and outperforms pristine PDMS in terms of electrical output and real‐time spatial mapping for next‐gen wearables.
Injamamul Arief, Swagato Sarkar, Anik Kumar Ghosh, Osvalds Verners, Kamal Kumar Meena, Su‐Hyeong Lee, Soosang Chae, Tobias A. F. König, Beate Krause, Andreas Fery, Mehmet Sait Özer, Anindya Nag, Amit Das   +12 more
wiley   +1 more source