Results 171 to 180 of about 62,388 (262)

Johari-Goldstein relaxation in quenched and irradiated chalcogenide glasses.

Newton
Baglioni J, Martinelli A, Sun P, Dallari F, Piemontese L, Umair M, Westermeier F, Sprung M, Monaco G.   +8 more
europepmc   +1 more source

Investigating Polyethylene Solubility for Solvent-Based Recycling: Experiments and SAFT‑γ Mie Predictions. [PDF]

Macromolecules
Standish R, Yin J, Burger J, Jackson G, Adjiman CS, Minceva M, Galindo 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 role of cation and anion structural modifications for the enhanced CO₂ solubility of hydroxyl ammonium- and pyridinium-based ionic liquids. [PDF]

RSC Adv
Abdelmagid AM, Ziyada AK, Elbashir AA, Salih ZA.   +3 more
europepmc   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

Advanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia, Christian Mark Pelicano   +1 more
wiley   +1 more source

High-throughput synthesis of zinc-functionalized bio-ceramics propels the rational design of bone implants. [PDF]

Bioact Mater
Huang H, Zhang B, Zhu S, Chang D, Yang L, Li J, Qiang L, Jiang B, Li R, Lu X, Guo T, Chen X, Zheng P, Weng J.   +13 more
europepmc   +1 more source

Unit of Enthalpy [PDF]

, 2020
openaire   +1 more source

Harnessing Machine Learning to Understand and Design Disordered Solids

Advanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

Enthalpy-Entropy Trade-Off Underlies Geometric Isomer Selectivity in Histamine H₁ Receptor-Doxepin Interaction. [PDF]

ACS Med Chem Lett
Kaneko H, Nagatoishi S, Tsumoto K, Ando T, Shiroishi M.   +4 more
europepmc   +1 more source

Hydration Behavior of Tricalcium Silicate in Seawater Relevant Salt Systems: A Hybrid Study with the Aid of Machine Learning

Advanced Intelligent Discovery, EarlyView.
The hydration behavior of C3S in seawater‐relevant solutions is studied based on experiments, boundary nucleation and growth (BNG) modeling, and machine learning. The main ions included in seawater modify hydration mechanisms, with MgCl2 showing the strongest acceleration effect at the same concentration.
Yanjie Sun, Chen Zhang, Ting Zhang, Mengze Hong, Peiliang Shen, Chi Sun Poon, Gang Li   +6 more
wiley   +1 more source