Results 151 to 160 of about 94,977 (261)

Reaction Discovery in Porous Materials Using Periodic Nanoreactor Molecular Dynamics

Angewandte Chemie International Edition, Volume 65, Issue 6, 2 February 2026.
Autonomous reaction discovery using ab initio nanoreactor dynamics in combination with periodic density functional theory (DFT) computations elucidates the selective catalytic reduction of NO to N2${\rm N}_2$ and side reactions forming N2O${\rm N}_2{\rm O}$.
Daniel Deißenbeck, Patrick Meier, Wassja A. Kopp, Anthony D. Debellis, Jan Meisner   +4 more
wiley   +1 more source

Simulating Freely Diffusing Single-Molecule FRET Data with Consideration of Protein Conformational Dynamics. [PDF]

J Phys Chem B
Losey J, Jauch M, Cortes-Cubero A, Wu H, Polasa A, Sauve S, Rivera R, Matteson DS, Moradi M.   +8 more
europepmc   +1 more source

Magnetic Domain Texture in Fe3O4 Thin Films on SiO2 Nanospheres

Advanced Materials, Volume 38, Issue 8, 6 February 2026.
Fe3O4 thin films grown on ordered SiO2 nanospheres form curved nanocaps with 3D geometry, inducing magnetic domain texture. X‐ray spectromicroscopy (XMCD‐PEEM), cross‐sectional electron microscopy (STEM), and polarized grazing‐incidence small‐angle neutron scattering (GISANS) reveal how topography modulates magnetization.
Mai Hussein Hamed, Yifan Xu, Hebatalla Elnaggar, Mohamed Zaghloul, Antonio M. Mio, Alicia Backs, Annika Stellhorn, Vitor de Oliveira Lima, Chenyang Yin, Connie Bednarski‐Meinke, Nina‐Juliane Steinke, Oleg Petracic, Thomas Brückel, Thomas Saerbeck, Asma Qdemat   +14 more
wiley   +1 more source

Generative Deep Learning for Advanced Battery Materials

Batteries &Supercaps, Volume 9, Issue 2, February 2026.
This review explores the role of generative deep learning (DL) in battery materials analysis and highlights the fundamental principles of generative DL and its applications in designing battery materials. The importance of using multimodal data is underscored to effectively address the challenges faced during the development of battery materials across
Deepalaxmi Rajagopal, Adrian Cierpka, Britta Nestler, Arnd Koeppe   +3 more
wiley   +1 more source

Quantum suppression of cold reactions far from the s-wave energy limit. [PDF]

Nat Commun
Katz O, Pinkas M, Akerman N, Li M, Ozeri R.   +4 more
europepmc   +1 more source

Understanding Degradation Mechanisms in Water‐In‐Salt Electrolyte: Part 1—In Depth Soaking Investigation by Means of Multiprobe Techniques of LiFePO4 versus TiS2

Batteries &Supercaps, Volume 9, Issue 2, February 2026.
Soaking well‐known composite electrodes (TiS2 and LiFePO4) into water‐in‐salt electrolyte is far from neutral since it can influence the cycling performance of water‐in‐salt electrolyte. Based on an in‐depth bulk‐to‐surface investigation, we find different surface chemistry during the soaking process, showing that degradation can occur before any ...
Célia Doublet, Ove Korjus, Marta Mirolo, Jakub Drnec, Vincent Martin, Emmanuelle Suard, Lorenzo Stievano, Lauréline Lecarme, Claire Villevieille   +8 more
wiley   +1 more source

Nonlinear thermodynamic computing out of equilibrium. [PDF]

Nat Commun
Whitelam S, Casert C.
europepmc   +1 more source

Sharp commutator estimates of all order for Coulomb and Riesz modulated energies

Communications on Pure and Applied Mathematics, Volume 79, Issue 2, Page 207-292, February 2026.
Abstract We prove functional inequalities in any dimension controlling the iterated derivatives along a transport of the Coulomb or super‐Coulomb Riesz modulated energy in terms of the modulated energy itself. This modulated energy was introduced by the second author and collaborators in the study of mean‐field limits and statistical mechanics of ...
Matthew Rosenzweig, Sylvia Serfaty
wiley   +1 more source

Entanglement generation between different center-of-mass motions in double levitated micromagnet system. [PDF]

Sci Rep
Liu W, Rao S.
europepmc   +1 more source

Quantum Theory of Surface Lattice Resonances

Nanophotonics, Volume 15, Issue 3, 12 February 2026.
ABSTRACT The collective interactions of nanoparticles arranged in periodic structures give rise to high‐Q $Q$ in‐plane diffractive modes known as surface lattice resonances. Although these resonances and their broader implications have been extensively studied within the framework of classical electrodynamics and linear response theory, a quantum ...
Michael Reitz, Stephan van den Wildenberg, Arghadip Koner, George C. Schatz, Joel Yuen‐Zhou   +4 more
wiley   +1 more source