Results 151 to 160 of about 26,663 (244)

Transfer Learning Meets Embedded Correlated Wavefunction Theory for Chemically Accurate Molecular Simulations: Application to Calcium Carbonate Ion Pairing. [PDF]

J Chem Theory Comput
Bian X, Carter EA.
europepmc   +1 more source

Thermodynamic Limits to Molecular Doping in Conjugated Polymers: A Perspective on Phase Behavior and Miscibility

Advanced Materials, EarlyView.
Molecular doping of conjugated polymers is fundamentally constrained by thermodynamic phase behavior. This Perspective reframes doping efficiency and stability in terms of miscibility limits, binodals, and solvus boundaries, highlighting the role of effective interaction parameters and charge transfer.
Somayeh Kashani, Justin Neu, Sung‐Joo Kwon, Runqio Song, Zixuan Chen, Tajah Trapier, Paschalis Gkoupidenis, David Ginger, Wei You, Jasper J. Michels, Harald Ade   +10 more
wiley   +1 more source

pH-dependent allosteric remodeling of a bacterial riboswitch couples alkaline activation to metal sensing. [PDF]

Nucleic Acids Res
Palmer D, Chauvier A, Silva TFD, Ontiveros A, Bussi G, Walter NG, Mishanina TV.   +6 more
europepmc   +1 more source

Neuromorphic Electronics for Intelligence Everywhere: Emerging Devices, Flexible Platforms, and Scalable System Architectures

Advanced Materials, EarlyView.
The perspective presents an integrated view of neuromorphic technologies, from device physics to real‐time applicability, while highlighting the necessity of full‐stack co‐optimization. By outlining practical hardware‐level strategies to exploit device behavior and mitigate non‐idealities, it shows pathways for building efficient, scalable, and ...
Kapil Bhardwaj, Roshni Satheesh Babu, Yuxin Xia, Eva Bestelink, Radu Sporea, Nikos Hastas, Ioannis Zeimpekis, Dimitra G. Georgiadou, Sayani Majumdar   +8 more
wiley   +1 more source

Anomalous correlations between ionic conductivity isotherms and phase diagrams in hydrofluoric and acetic acid aqueous systems. [PDF]

RSC Adv
Al-Salih H, Poshtchioskuei A, Abu-Lebdeh Y.   +2 more
europepmc   +1 more source

Resistance to Overdoping Allows Over 2000 S cm−1 Conductivity in P(g3BTTT) With Anion‐Exchange Doping

Advanced Materials, EarlyView.
Anion‐exchange doping of conjugated polymers is an effective way to achieve high conductivities. Here, we report over 2000 S cm−1 electrical conductivity for doped P(g3BTTT). In addition, we show that P(g3BTTT) sustains exceptionally high doping levels without any drop in the charge mobility.
Basil Hunger, Maximilian M. Horn, Eva Röck, Diego Rosas Villalva, Lize Bynens, Jochen Vanderspikken, Christina Kousseff, Silène Gobeil, Olivier Bardagot, Nesibe Akmanşen‐Kalayci, Sarah H. Tolbert, Iain McCulloch, Wouter Maes, Demetra Tsokkou, Natalie Banerji   +14 more
wiley   +1 more source

Hierarchical breakdown of RNA structure prediction in CASP16: from reliable local helices to speculative multimer assembly. [PDF]

Bioinformatics
Nithin C, Pilla SP, Kmiecik S.
europepmc   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Synergistic effects in s- and d-block heterometallic compounds: small molecule activation and catalysis. [PDF]

Chem Sci
Gawron M, Wolf R.
europepmc   +1 more source

Phase Engineering of Atomically Precise Nanoclusters (APNCs) of Gold and Beyond

Advanced Materials, EarlyView.
Engineering the structural phase of materials is of paramount importance for both fundamental research and practical applications. In this Review, we summarize the recent progress in controlling the phases of atomically precise nanoclusters (APNCs) of gold, silver and copper, as well as bimetallic systems. The phase‐enabled material properties of APNCs
Yitong Wang, Avirup Sardar, Weijie Ji, Zhongyu Liu, Rongchao Jin   +4 more
wiley   +1 more source