Results 181 to 190 of about 885,664 (282)

Searching permutations for constructing uniformly distributed point sets. [PDF]

Proc Natl Acad Sci U S A
Clément F, Doerr C, Klamroth K, Paquete L.   +3 more
europepmc   +1 more source

Rational Design of Metal–Organic Frameworks for Pancreatic Cancer Therapy: from Machine Learning Screening to In Vivo Efficacy

Advanced Materials, EarlyView.
This work explores the MOF landscape to select a single, optimal candidate for successfully delivering cancer drugs (gemcitabine, paclitaxel, SN‐38) into tough pancreatic tumors. Machine learning and simulations guide this search, demonstrating colloidal stability, excellent biocompatibility, cellular uptake, and sustained release.
Francesca Melle, Dhruv Menon, João Conniot, Jon Ostolaza‐Paraiso, Sergio Mercado, Jhenifer Oliveira, Xu Chen, Bárbara B. Mendes, João Conde, David Fairen‐Jimenez   +9 more
wiley   +1 more source

A machine learning based classifier for topological quantum materials. [PDF]

Sci Rep
Rasul A, Hossain MS, Dastider AG, Roy H, Hasan MZ, Khosru QDM.   +5 more
europepmc   +1 more source

SciAgents: Automating Scientific Discovery Through Bioinspired Multi‐Agent Intelligent Graph Reasoning

Advanced Materials, EarlyView.
The SciAgents AI model drives hypothesis generation by harnessing multi‐agent graph reasoning, extracting insights from knowledge graphs constructed from scientific papers. Each agent plays a specific role: the Ontologist defines concepts, the Scientists draft and refine proposals, and the Critic reviews.
Alireza Ghafarollahi, Markus J. Buehler
wiley   +1 more source

Quantum Chemical Density Matrix Renormalization Group Method Boosted by Machine Learning. [PDF]

J Phys Chem Lett
Golub P, Yang C, Vlček V, Veis L.
europepmc   +1 more source

Adsorption and Separation by Flexible MOFs

Advanced Materials, EarlyView.
Flexible metal–organic frameworks (MOFs) present significant potential for gas storage and separation due to their structural dynamic. This review explores the rationale behind the flexible MOFs' enhanced working capacity and separation factors. It also addresses key challenges, including phase transition kinetics, crystal robustness, cycling, shaping,
Irena Senkovska, Volodymyr Bon, Antonia Mosberger, Yutong Wang, Stefan Kaskel   +4 more
wiley   +1 more source

Solid phase thermal conductivity model of alpine meadow soils based on fractal theory. [PDF]

Sci Rep
Huang W, Mao X, Wu Q.
europepmc   +1 more source

Unveiling the three-dimensional network and deformation mechanism of foamed polyurethane by coarse-grained and graph theory

Yongshen Wu, Shusheng Lu, Chao Zhang, Cuixia Wang, Hongyuan Fang   +4 more
openalex   +1 more source

A 2D/3D Heterostructure Perovskite Solar Cell with a Phase‐Pure and Pristine 2D Layer

Advanced Materials, EarlyView.
A simple solution‐based method that can achieve pristine (without residual 2D precursors) and phase‐pure 2D/3D perovskite heterostructure without the need for synthesizing a single crystal is developed. Perovskite solar cells with this treatment demonstrate a notable improvement in both power conversion efficiency and long‐term stability, with ...
Meng‐Chen Shih, Shaun Tan, Yongli Lu, Tim Kodalle, Do‐Kyoung Lee, Yifan Dong, Bryon W. Larson, Soyeon Park, Ruiqi Zhang, Matthias J. Grotevent, Tara Sverko, Hua Zhu, Yu‐Kuan Lin, Carolin M. Sutter‐Fella, Kai Zhu, Matthew C. Beard, Vladimir Bulović, Moungi G. Bawendi   +17 more
wiley   +1 more source

Machine Learning Force Field for Optimization of Isolated and Supported Transition Metal Particles. [PDF]

J Chem Theory Comput
Boucher A, Beevers C, Gauthier B, Roldan A.   +3 more
europepmc   +1 more source