Results 131 to 140 of about 127,298 (253)

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

Advanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano, Zihan You, Haoran Chen, Qifan Zhong, Rong‐Zhen Liao, Shaoqi Zhan   +5 more
wiley   +1 more source

Topological data analysis for predicting disease outbreaks in humanitarian settings: A machine learning approach. [PDF]

PLoS One
Opue JA, Okorie UE, Itita VE.
europepmc   +1 more source

An application of topological data analysis in predicting sumoylation sites. [PDF]

PeerJ, 2023
Lin X, Gao Y, Lei F.
europepmc   +1 more source

Tailoring Phonon‐Driven Responses in α‐MoO3 through Isotopic Enrichment

Advanced Materials, EarlyView.
ABSTRACT The implementation of polaritonic materials into nanoscale devices requires selective tuning of parameters to realize desired spectral or thermal responses. One robust material, α‐MoO3, an orthorhombic crystal boasting three distinct phonon dispersions, provides three polaritonic dispersions of hyperbolic phonon polaritons (HPhPs) across the ...
Thiago S. Arnaud, Ryan W. Spangler, Johnathan D. Georgaras, Jonah B. Haber, Daniel Hirt, Maximilian Obst, Gonzalo Álvarez‐Pérez, Mackey Long III, Felix G. Kaps, Jakob Wetzel, Courtney Ragle, John E. Buchner, Youngji Kim, Aditha S. Senarath, Richarda Niemann, Mingze He, Giulia Carini, Unai Arregui‐Leon, Akash C. Behera, Ramachandra Bangari, Nihar Sahoo, Niels C. Brumby, J. Michael Klopf, Martin Wolf, Lukas M. Eng, Susanne C. Kehr, Thomas G. Folland, Alexander Paarmann, Patrick E. Hopkins, Felipe Jornada, Jon‐Paul Maria, Joshua D. Caldwell   +31 more
wiley   +1 more source

Topological data analysis visualization for interpretable assessment of AI contouring quality. [PDF]

Proc SPIE Int Soc Opt Eng
Choi CMS, Rangnekar A, Jiang J, Veeraraghavan H.   +3 more
europepmc   +1 more source

Double‐Sided Mechanical Interlocking Enables Soft‐Rigid Conductive Interfaces With a Record High Toughness for Flexible Electronics

Advanced Materials, EarlyView.
A double‐sided mechanical interlocking strategy is developed to create robust electrical contact between polymer electrode and metal interconnect. The fibrous structure enables formation of thread–hole adhesion, which only breaks under bulk failure and achieves a record high interfacial energy exceeding 730 J·m−2. This adhesion secures the integrity of
Gang Li, Minkun Cai, Chunyan Cao, Zengbai Ouyang, Hong Fu, Lingyu Zhao, Bingang Xu   +6 more
wiley   +1 more source

A topological data analysis method for revealing dynamic changes in psychotherapy microprocesses. [PDF]

Front Psychol
Luo X, Zhang M.
europepmc   +1 more source

Toward a Unified Mechanistic Understanding of Polymer Electrolytes for Advanced Solid‐State Batteries

Advanced Materials, EarlyView.
Polymer electrolytes (PEs) are often indiscriminately grouped as “solid polymer electrolytes (SPEs)”, despite fundamental differences in their ion‐transport mechanisms. This Perspective establishes a mechanism‐based framework that distinguishes gel, quasi‐solid, and all‐solid polymer electrolytes based on their dominant ion‐transport pathways.
Jing Chen, Han Chen, Michel Armand, Gunther Brunklaus, Jang Wook Choi, Yan‐Bing He, Bumjoon J. Kim, Seung Woo Lee, Stefano Passerini, Meera Mohankumar, Patrick Theato, Marnix Wagemaker, Martin Winter, Qiang Zhang, Shujiang Ding, Zhiqun Lin   +15 more
wiley   +1 more source

Fiber‐Endface‐Integrated PdSe2/2H‐MoTe2 Heterojunction Photodetector for Broadband Linear‐Polarization Detection

Advanced Materials Interfaces, EarlyView.
An all‐in‐fiber broadband polarization photodetector is demonstrated by integrating a PdSe2/2H‐MoTe2 van der Waals heterostructure onto a fiber endface. The device exhibits broadband response spanning 532 nm to 1630 nm, a fast response time of 59 µs, and a polarization ratio of 1.99. This work demonstrates a promising hardware strategy for polarization
Zexing Zheng, Qingde Yang, Huishan Ma, Yu Qian, Shuguang Zhu, Chao Yang, Jiale He, Changlong Liu, Weiwei Tang, Qiaonan Dong, Min Qiu, Xiaoshuang Chen   +11 more
wiley   +1 more source

Topological data analysis and topological deep learning beyond persistent homology: a review. [PDF]

Artif Intell Rev
Su Z, Liu X, Hamdan LB, Maroulas V, Wu J, Carlsson G, Wei GW, Wei GW.   +7 more
europepmc   +1 more source