Results 291 to 300 of about 4,251,069 (374)

A configuration interaction approach to solve the Anderson impurity model; applications to elemental Ce. [PDF]

NPJ Comput Mater
Herzog B, Thunström P, Eriksson O.
europepmc   +1 more source

MOFs and COFs in Electronics: Bridging the Gap between Intrinsic Properties and Measured Performance

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) hold promise for advanced electronics. However, discrepancies in reported electrical conductivities highlight the importance of measurement methodologies. This review explores intrinsic charge transport mechanisms and extrinsic factors influencing performance, and critically ...
Jonas F. Pöhls, R. Thomas Weitz
wiley   +1 more source

Highly Selective Toward HER or CO2RR by Regulating Cu Single and Dual Atoms on g‐C3N4

Advanced Functional Materials, EarlyView.
This systematic study provides insights into the design of electrocatalysts for hydrogen evolution reaction (HER) and carbon dioxide reduction (CO2RR). It serves as a useful guide for tuning catalyst architecture toward efficient multifunctional performance by varying synthetic parameters, demonstrating the impact of copper (Cu) species ranging from ...
Wan‐Ting Chen, Hung Wei Shiu, Yu‐Xun Chen, Erdembayalag Batsaikhan, Yu‐Ling Lai, Su Ling Cheng, Tohru Araki, Jyh‐Fu Lee, Michitoshi Hayashi, Yao‐Jane Hsu   +9 more
wiley   +1 more source

A large-scale balloon model of confluent cells validates stress inference from geometry. [PDF]

NPJ Biol Phys Mech
Hall JK, Deng Y, Kontodimas K, Nia H, Varelas X, Lutchen KR, Bates J, Suki B.   +7 more
europepmc   +1 more source

Unleashing the Power of Machine Learning in Nanomedicine Formulation Development

Advanced Functional Materials, EarlyView.
A random forest machine learning model is able to make predictions on nanoparticle attributes of different nanomedicines (i.e. lipid nanoparticles, liposomes, or PLGA nanoparticles) based on microfluidic formulation parameters. Machine learning models are based on a database of nanoparticle formulations, and models are able to generate unique solutions
Thomas L. Moore, Cristiano Pesce, Antonietta Greco, Claudia Pisante, Greta Avancini, Valentina Di Francesco, Yosi Shamay, Paolo Decuzzi   +7 more
wiley   +1 more source

Bridging traditional and contemporary approaches in computational medicinal chemistry: opportunities for innovation in drug discovery. [PDF]

RSC Med Chem
de Oliveira AS.
europepmc   +1 more source

The Variational Quantum Eigensolver (VQE): A Quantum-Classical Hybrid Approach for Computational Physics and Quantum Simulation.

Anand Thipperudra, R. P. Singh, Shambhulinga Aralekallu   +2 more
openalex   +1 more source

Metal‐Organic Frameworks Facilitating Complexation for Long‐Cycle Zinc‐Bromine Flow Batteries

Advanced Functional Materials, EarlyView.
The organic ligands (imidazole and benzimidazole) from the decomposed zinc ZIF‐62 is proposed to further improve the Br2 complexing ability of the mature complexing agent (i.e., N‐methyl‐N‐ethyl pyrrolidinium bromide (MEP) ionic liquid). The synergistic effect between Im/BIm of the decomposed ZIF‐62 toward bromine species and MEP toward bromine species,
Huaiyang Zheng, Junwei Ding, Jiaqi Huang, Junrui Wang, Haitao Zhang, Congwen Qin, Junping Zhang, Yingjun Cai, Xiaoyan Ji   +8 more
wiley   +1 more source

Evidential deep learning for interatomic potentials. [PDF]

Nat Commun
Xu H, Cui T, Tang C, Ma J, Zhou D, Li Y, Gao X, Gong X, Ouyang W, Zhang S, Su M.   +10 more
europepmc   +1 more source

Curved Nanographene–Graphite Hybrid Anodes with Sequential Li+ Insertion for Fast‐Charging and Long‐Life Li‐Ion Batteries

Advanced Functional Materials, EarlyView.
A hybrid anode composed of Cl‐functionalized curved nanographene and graphite enables ultra‐fast charging and long cycle life through an engineered morphology and sequential Li+ insertion. It delivers 100 mAh g−1 at 5 C with 70% capacity retention after 1000 cycles and maintains stable performance over 2000 cycles in pouch cells, providing a practical ...
Hyunji Cha, Minsung Kang, Seung Hak Oh, Jee Ho Ha, Jeongmi Joo, Dae Hyeon Kwon, Sang Kyu Kwak, Seokhoon Ahn, Seok Ju Kang   +8 more
wiley   +1 more source