Results 41 to 50 of about 16,394 (216)

Path Integrals on Euclidean Space Forms [PDF]

open access: yes, 2015
In this paper we develop a quantization method for flat compact manifolds based on path integrals. In this method the Hilbert space of holomorphic functions in the complexification of the manifold is used. This space is a reproducing kernel Hilbert space.
Capobianco, Guillermo, Reartes, Walter
core   +3 more sources

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

open access: yesAdvanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu   +3 more
wiley   +1 more source

Artificial Intelligence‐Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling

open access: yesAdvanced Materials, EarlyView.
AI‐Assisted Workflow for (Scanning) Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling. Abstract (Scanning) transmission electron microscopy ((S)TEM) has significantly advanced materials science but faces challenges in correlating precise atomic structure information with the functional properties of ...
Marc Botifoll   +19 more
wiley   +1 more source

Saturation of optimality limits in hadron-hadron scatterings [PDF]

open access: yes, 2003
In this paper the optimal unitarity lower bound on logarithmic slope of the diffraction peak is investigated. It is shown that the unitarity lower bound is just the optimal logarithmic slopes predicted by the principle of least distance in space of ...
Ion, D. B., Ion, M. L.
core   +3 more sources

Triply‐Twinned Metamaterials: Unraveling the Mechanics and Failure Pathways Through High‐Resolution XCT

open access: yesAdvanced Materials, EarlyView.
Triply‐twinned architected lattices transform deformation from bending to stretching of struts, delivering up to threefold increases in stiffness and strength across polymeric and metallic systems. High‐resolution synchrotron XCT and image‐based simulations reveal how meta‐grain architecture, defects, and AM build orientation govern failure pathways ...
David McArthur   +7 more
wiley   +1 more source

Data‐Driven Discovery of Quaternary Ammonium Interlayers for Efficient and Thermally Stable Perovskite Solar Cells

open access: yesAdvanced Materials, EarlyView.
An active learning framework, grounded in independently generated in‐house experimental data, enables reliable discovery of high‐performance interfacial materials for perovskite solar cells. Iterative model refinement autonomously converges toward structurally robust quaternary ammonium architectures, establishing a new design principle for interfacial
Jongbeom Kim   +8 more
wiley   +1 more source

Computational issues in chemo-dynamical modelling of the formation and evolution of galaxies

open access: yes, 2015
Chemo-dynamical N-body simulations are an essential tool for understanding the formation and evolution of galaxies. As the number of observationally determined stellar abundances continues to climb, these simulations are able to provide new constraints ...
Arnaudon, Alexis   +4 more
core   +3 more sources

Lagrangian Numerical Methods for Ocean Biogeochemical Simulations [PDF]

open access: yes, 2017
We propose two closely--related Lagrangian numerical methods for the simulation of physical processes involving advection, reaction and diffusion. The methods are intended to be used in settings where the flow is nearly incompressible and the P\'eclet ...
Paparella, Francesco, Popolizio, Marina
core   +2 more sources

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

open access: yesAdvanced 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   +8 more
wiley   +1 more source

Multichannel active-space embedding of atomic multiplets in plane-wave density functional theory/projector augmented-wave for core-level spectroscopies

open access: yesPhysical Review Research
We introduce an active-space embedding framework for core-level spectroscopies that connects localized atomic multiplets to continuum resonances within a plane-wave density functional theory/projector augmented-wave description.
Alessandro Mirone   +3 more
doaj   +1 more source

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