Results 71 to 80 of about 1,945 (280)

Incorporating long-range electrostatics in neural network potentials via variational charge equilibration from shortsighted ingredients

npj Computational Materials
We present a new approach to construct machine-learned interatomic potentials including long-range electrostatic interactions based on a charge equilibration scheme.
Yusuf Shaidu, Franco Pellegrini, Emine Küçükbenli, Ruggero Lot, Stefano de Gironcoli   +4 more
doaj   +1 more source

Counterion Dependent Side‐Chain Relaxation Stiffens a Chemically Doped Thienothiophene Copolymer

Advanced Functional Materials, EarlyView.
Oxidation of a thienothiophene copolymer, p(g3TT‐T2), via different doping strategies and dopant molecules resulted in materials with similar oxidation levels and a high electrical conductivity of ≈100 S cm−1. However, mechanical properties varied significantly, with sub‐glass transition temperatures and elastic moduli spanning from –44°C to –3°C and ...
Mariavittoria Craighero, Meghna Jha, Elsa Veronica Flores‐Vela, Joost Kimpel, Andreas Schaefer, Jiali Guo, Jesika Asatryan, Alberto Peinador Veiga, Shuichi Haraguchi, Per‐Anders Carlsson, Jaime Martín, Mariano Campoy‐Quiles, Christian Müller   +12 more
wiley   +1 more source

Atomic decompositions for noncommutative martingales

, 2021
We prove an atomic type decomposition for the noncommutative martingale Hardy space $\h_p$ for all ...
Xu, Quanhua, Chen, Zeqian, Randrianantoanina, Narcisse   +2 more
core  

Hankel operators and atomic decompositions in vector-valued Bergman spaces

, 2005
This thesis consists of the following three papers Paper I. Hankel operators on Bergman spaces and similarity to contractions. In this paper we consider Foguel-Hankel operators on vector-valued Bergman spaces.
Constantin, Olivia,, Lund University.
core   +1 more source

Intermediate Resistive State in Wafer‐Scale Vertical MoS2 Memristors Through Lateral Silver Filament Growth for Artificial Synapse Applications

Advanced Functional Materials, EarlyView.
In MOCVD MoS2 memristors, a current compliance‐regulated Ag filament mechanism is revealed. The filament ruptures spontaneously during volatile switching, while subsequent growth proceeds vertically through the MoS2 layers and then laterally along the van der Waals gaps during nonvolatile switching.
Yuan Fa, Milan Buttberg, Ke Ran, Rana Walied Ahmad, Dennis Braun, Lukas Völkel, Jimin Lee, Sofía Cruces, Bart Macco, Bárbara Canto, Holger Lerch, Thorsten Wahlbrink, Holger Kalisch, Michael Heuken, Andrei Vescan, Joachim Mayer, Zhenxing Wang, Ilia Valov, Stephan Menzel, Max C. Lemme   +19 more
wiley   +1 more source

Mean oscillation, weighted Bergman spaces, and Besov spaces on the Heisenberg group and atomic decompositions

, 1991
R. Coifman and R. Rochberg have shown that functions in weighted Bergman spaces on symmetric domains in Cn have representations as sums of normalized powers of reproducing kernels. F. Ricci and M.
Feldman, Mark
core   +1 more source

Equivalence of synthesis and atomic formulations of sparse recovery [PDF]

, 2012
Recovery of sparse signals from linear, dimensionality reducing measurements broadly fall under two well-known formulations, named the synthesis and the analysis a ́ la Elad et al. Recently, Chandrasekaran et al.
Fatemi, Mitra, Dashmiz, Shayan, Volkan Cevher, Mitra Fatemi, Shayan Dashmiz, Shafinia, Mohammad Hossein, Cevher, Volkan, Mohammad Hossein Shafinia   +7 more
core   +1 more source

DeepEMs-25: a deep-learning potential to decipher kinetic tug-of-war dictating thermal stability in energetic materials

npj Computational Materials
Atomic-scale insight into decompositions in energetic materials (EMs) is essential for harnessing energy release, which remains elusive due to both instrumental and computational limitations.
Ming-Yu Guo, Yun-Fan Yan, Pin Chen, Wei-Xiong Zhang   +3 more
doaj   +1 more source

Liquid Phase Transmission Electron Microscopy: A Window into the Early Stages of Complex Material Formation

Advanced Functional Materials, EarlyView.
Liquid‐phase transmission electron microscopy enables direct observation of nucleation and growth processes in solution. This review is dedicated to the remembrance of Helmut Cölfen and highlights recent studies on complex materials—oxides, biominerals, organic–inorganic crystals—which were central to his research activity. It summarizes key milestones,
Charles Sidhoum, Vinavadini Ramnarain, Nathaly Ortiz Peña, Dris Ihiawakrim, Clément Sanchez, Ovidiu Ersen   +5 more
wiley   +1 more source

Nonparametric inference of higher order interaction patterns in networks

Communications Physics
Local interaction patterns play an important role in the structural and functional organization of complex networks. Here we propose a method for obtaining parsimonious decompositions of networks into higher order interactions which can take the form of ...
Anatol E. Wegner, Sofia C. Olhede
doaj   +1 more source