Results 211 to 220 of about 3,388 (272)

Cholinesterase Inhibitory Activity of Alkylated Quinobenzothiazinium Salts. [PDF]

Molecules
Stepankova S, Bak A, Latocha M, Kozik V, Kawulok A, Jampilek J, Zieba A.   +6 more
europepmc   +1 more source

A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons

Advanced Intelligent Discovery, EarlyView.
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam, Ogheneyoma Aghoghovbia, Mohammed Al‐Fahdi, Lingyu Kong, Victor Fung, Ming Hu   +5 more
wiley   +1 more source

The Aromaticity of Osmapentalenes Derivatives - An Analysis Based on Electron-Delocalization Indices. [PDF]

Chemphyschem
Grande-Aztazi R, Matito E, Ugalde JM, Mercero JM.   +3 more
europepmc   +1 more source

Deep Learning‐Assisted Design of Mechanical Metamaterials

Advanced Intelligent Discovery, EarlyView.
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong, Pu Wen, Zhiping Chai, Dunxuan Wu, Han Ding, Zhigang Wu   +5 more
wiley   +1 more source

Synthesis and structure of ammonium bis-(malonato)borate. [PDF]

Acta Crystallogr E Crystallogr Commun
Govindharajan G, Chidambaram RR, Uthamaselvan G, Iyathurai K, Karthikeyan K, Natarajan S.   +5 more
europepmc   +1 more source

Bayesian Exploration of Metal‐Organic Framework‐Derived Nanocomposites for High‐Performance Supercapacitors

Advanced Intelligent Discovery, EarlyView.
An AI‐assisted approach is introduced to decode synthesis–performance relationships in metal‐organic framework‐derived supercapacitor materials using Bayesian optimization and predictive modeling, streamlining the search for optimal energy storage properties.
David Gryc, Pritam Banerjee, Felipe Jacques Lima Duarte, Joerg R. Jinschek, Premkumar Murugesan, Babak Rezaei, Stephan Sylvest Keller, Roland A. Fischer, Mian Zahid Hussain   +8 more
wiley   +1 more source

Non-destructive orientation tracking of individual β-Sn grains in die-attach solder joints. [PDF]

J Synchrotron Radiat
Kim J, Hayashi Y, Tatsumi H, Nishikawa H, Yabashi M.   +4 more
europepmc   +1 more source

Micro Pattern-Based 3D Cell Culture Platform: An Overview of Technologies and Applications. [PDF]

Exploration (Beijing)
Zhu X, Li Y, Long H, Wu Y, Sun N, Li S, Liu Y, Xie H, Bao J.   +8 more
europepmc   +1 more source

Explaining the Origin of Negative Poisson's Ratio in Amorphous Networks With Machine Learning

Advanced Intelligent Discovery, EarlyView.
This review summarizes how machine learning (ML) breaks the “vicious cycle” in designing auxetic amorphous networks. By transitioning from traditional “black‐box” optimization to an interpretable “AI‐Physics” closed‐loop paradigm, ML is shown to not only discover highly optimized structures—such as all‐convex polygon networks—but also unveil hidden ...
Shengyu Lu, Xiangying Shen
wiley   +1 more source

Rational design of metal-organic cages to increase the number of components via dihedral angle control. [PDF]

Nat Commun
Abe T, Takeuchi K, Higashi M, Sato H, Hiraoka S.   +4 more
europepmc   +1 more source