Results 181 to 190 of about 4,096,407 (285)
FastNano Liquid: An Automated Platform for Small‐Angle X‐ray Scattering‐Based Materials Discovery
Advanced Engineering Materials, EarlyView.We present FastNano Liquid, an automated small‐ and wide‐angle X‐ray scattering platform for the combined synthesis and characterization of (nano)materials. The platform is coupled to varied reactor workflows for both in situ studies of reaction kinetics and ex situ screening of synthesis conditions to support machine learning‐guided exploration ...
Pierre‐Baptiste Flandrin +16 more
wiley +1 more source
Deepmol: an automated machine and deep learning framework for computational chemistry. [PDF]
J CheminformCorreia J, Capela J, Rocha M.
europepmc +1 more source
A Multi‐Scale Machine Learning Framework for the Inverse Design of High Entropy Alloys
Advanced Engineering Materials, EarlyView.High‐entropy alloys offer vast potential for various applications, including electrocatalysis; however, their compositional complexity challenges conventional screening. We introduce an inverse‐design framework combining two neural networks to determine optimal compositions and reconstruct nanoparticle geometry from targeted properties and conventional
Mikael Takoutsin +14 more
wiley +1 more source
Computational Chemistry Study of pH-Responsive Fluorescent Probes and Development of Supporting Software. [PDF]
MoleculesZhu X, Wei Y, Liu X.
europepmc +1 more source
Detecting Anomalous Cell Behavior in Electrochemical Battery Testing Using Machine Learning
Advanced Engineering Materials, EarlyView.Machine‐learning‐based screening enables automated identification of anomalous battery cells from complementary electrochemical tests. A curated battery database supports configuration‐aware comparison of rate‐capability and impedance data. Supervised classification of rate‐test data achieves 90% accuracy, while CNN‐VAE‐based impedance analysis reaches
Minu Rose +7 more
wiley +1 more source
Target screening and optimization of candidate compounds for breast cancer treatment using bioinformatics and computational chemistry approaches. [PDF]
Front PharmacolXu J, Li X, Jia Y.
europepmc +1 more source
Enhancing Low‐Temperature Performance of Sodium‐Ion Batteries via Anion‐Solvent Interactions
Advanced Functional Materials, EarlyView.DOL is introduced into electrolytes as a co‐solvent, increasing slat solubility, ion conductivity, and the de‐solvent process, and forming an anion‐rich solvent shell due to its high interaction with anion. With the above virtues, the batteries using this electrolyte exhibit excellent cycling stability at low temperatures. Abstract Sodium‐ion batteries
Cheng Zheng +7 more
wiley +1 more source
Advanced Functional Materials, EarlyView.An all‐in‐one analog AI accelerator is presented, enabling on‐chip training, weight retention, and long‐term inference acceleration. It leverages a BEOL‐integrated CMO/HfOx ReRAM array with low‐voltage operation (<1.5 V), multi‐bit capability over 32 states, low programming noise (10 nS), and near‐ideal weight transfer.
Donato Francesco Falcone +11 more
wiley +1 more source