Results 151 to 160 of about 223,388 (265)

Penalized eigenvalue block averaging: Extension to nested model comparison and Monte Carlo evaluations. [PDF]

Behav Res Methods
Foldnes N, Grønneberg S, Moss J.
europepmc   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

Advanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu, Milica Zdravković, Dijana Milosavljević, Konstantin Köster, Olivier Guillon, Jyh‐Chiang Jiang, Payam Kaghazchi   +6 more
wiley   +1 more source

EPE contribution analysis method of multiple patterning lithography by Monte Carlo and Sobol sensitivity analysis. [PDF]

Nanoscale Adv
Ai F, Su X, Su Y, Wei Y.
europepmc   +1 more source

Comparative Insights and Overlooked Factors of Interphase Chemistry in Alkali Metal‐Ion Batteries

Advanced Energy Materials, EarlyView.
This review presents a comparative analysis of Li‐, Na‐, and K‐ion batteries, focusing on the critical role of electrode–electrolyte interphases. It especially highlights overlooked aspects such as SEI/CEI misconceptions, binder effects, and self‐discharge relevance, emphasizing the limitations of current understanding and offering strategies for ...
Changhee Lee, Zachary T. Gossage, Shinichi Kumakura, Shinichi Komaba   +3 more
wiley   +1 more source

Improving sampling efficacy on high-dimensional distributions with thin high-density regions using Conservative Hamiltonian Monte Carlo. [PDF]

PNAS Nexus
McGregor G, Wan ATS.
europepmc   +1 more source

Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries

Advanced Energy Materials, EarlyView.
This review will delve into the inherent connections and distinctions of CO2‐directed conversion in ECO2RR and CO2 batteries, in terms of product types, catalyst selection, catalytic mechanisms, and electrochemical performances, while proposing a benchmarking framework for the evaluation of CO2 batteries and innovative CO2 battery configurations for ...
Changfan Xu, Huaping Zhao, Lizhuang Chen, Weidong Shi, Guosheng Shao, Yong Lei   +5 more
wiley   +1 more source

Heavy Metal Pollution and Risk Assessment of Sediments in Liuye Lake Based on Monte Carlo Simulation. [PDF]

Toxics
Li G, Xu Z, Zheng J, Xie Y, Li L, Peng Y, Luo K, Liu Y.   +7 more
europepmc   +1 more source

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

Informed Dictionary-Guided Monte Carlo Inversion for Robust and Reproducible Multidimensional MRI. [PDF]

Magn Reson Med
Park JS, Manninen E, Manninen E, Yang Y, Benjamini D.   +4 more
europepmc   +1 more source

Molecular Interfacial Regulators Enable Stable Sulfide Electrolytes for High‐Performance All‐Solid‐State Batteries

Advanced Energy Materials, EarlyView.
Molecular surface regulation enabled by fluoropyridines stabilizes sulfide electrolyte interfaces across both reductive and oxidative regimes. By suppressing interfacial decomposition, the modified LPSClBr enables high‐voltage operation, stable stripping/plating of Li metal, and long‐life full cells with uncoated cathodes.
Laras Fadillah, Hanna Türk, Weicheng Hua, Leonie Braks, Mingliang Liu, Jihoon Oh, Michele Ceriotti, Mario El Kazzi, Jang Wook Choi, Ali Coskun   +9 more
wiley   +1 more source