Results 151 to 160 of about 9,487,850 (308)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Simultaneous Electronic and Crystallographic Modulation of Cs3Bi2Br9 by Single‐Element Sn Substitution for Enhanced CO2 Photoreduction

Advanced Energy Materials, EarlyView.
Aliovalent B‐site substitution with Sn2+ in lead‐free perovskite, Cs3Bi2Br9, is employed to simultaneously induce lattice contraction and bromine vacancy through charge imbalance and ionic radius mismatch. The resulting structural distortion modulates the electronic structure and improves charge separation, leading to enhanced visible‐light‐driven CO2 ...
Justin Khor, Jiale Lee, Xin Ying Kong, Qixin Zhou, Yongfa Zhu, Jingxiang Low, Siang‐Piao Chai, Lling‐Lling Tan   +7 more
wiley   +1 more source

The effect of education based on the health belief model on women’s practice about Pap smear test

حیات, 2016
Background & Aim: Pap smear test is an effective screening method for early detection of cervical cancer. This study aimed to determine the effect of education based on the health belief model on women’s belief and practice regarding Pap smear test ...
Rahim Tahmasebi, Fatemeh Hosseini, Azita Noroozi   +2 more
doaj  

Characterizing Biopolymer Electrolytes in Zinc–Air Batteries: Challenges, Best Practices, and a Robust Workflow Guiding Future Research Paths

Advanced Energy Materials, EarlyView.
Bio‐based gel polymer electrolytes promise sustainable, mechanically adaptable zinc–air batteries, yet their progress is constrained by inconsistent characterization. This review critically links formulation, structure, interfaces, and cell performance, identifies methodological gaps under alkaline operating conditions, and proposes application ...
Matteo Milanesi, Hiba Ali, Barbara Belza, Mattia F. Palermo, Claudio Gerbaldi, Giuseppe Antonio Elia, Nagore Ortiz‐Vitoriano   +6 more
wiley   +1 more source

Multi‐modal Operando Analysis of Lithium–Sulfur Batteries: A Comparative Study on the Influence of Electrolyte Composition

Advanced Energy Materials, EarlyView.
The influence of different electrolytes on Lithium–sulfur batteries is investigated. Multimodal operando analysis, including Raman, UV–vis, and Impedance spectroscopy is used to study degradation mechanisms. The solubility of polysulfides in the electrolyte is crucial for battery capacity and lifetime.
Oliver Löhmann, Pouya Partovi‐Azar, Mirco Ruttert, Sebastian Risse   +3 more
wiley   +1 more source

Allium sativum, a Natural and Pharmaco‐Remedial Panacea for Entero‐Gastritis, Antibiocidal/Dysbiogenesis, and Systemic Health Relevance

AgriFood: Journal of Agricultural Products for Food, EarlyView.
Natural Pharmaco‐remedial impacts of Allium sativum on Systemic health. ABSTRACT Arising from the emergence of diverse difficult‐to‐treat health cases, alterative‐therapeutic strategies have become a potential way forward for management/control. In traditional Chinese medicine (TCM), various plant materials have been sourced as alterative‐therapeutic ...
Patience O. Adomi, Bright E. Igere, Anthony J. Anozie, Oghenenyore A. Ohwokevwo   +3 more
wiley   +1 more source

The Effect of Smear Layer on Apical Seal of Endodontically Treated Teeth

Journal of Research in Medical Sciences, 2004
Background: The purpose of this study was to evaluate the effect of smear layer on apical seal of endodontically treated teeth. Methods: Sixty extracted single–rooted human teeth were randomly divided into two experimental groups (n=25) and two control ...
A Farhad, T Elahi
doaj  

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Effect of Smear Layer Deproteinization on Gingival Marginal Sealing of Self-Adhesive Flowable Composites: A Micro-CT Study. [PDF]

J Funct Biomater
Aydin F, Öztürk B, Demirel G, Irmak Ö, Buyuksungur A, Baltacioğlu İH, Karstarli Ö, Orhan K.   +7 more
europepmc   +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