Results 151 to 160 of about 100,994 (269)
Triggered Ferroelectricity in HfO2 From Hybrid Phonons and Higher‐Order Dynamical Charges
Advanced Materials, Volume 38, Issue 19, 1 April 2026.We combine first‐principles calculations, LGD theory and group theory to demonstrate the mechanism of hybrid‐triggered ferroelectricity in HfO2${\rm HfO}_2$, enabled by trilinear and quadlinear couplings between stable polar and nonpolar modes. HfO2${\rm HfO}_2$ hosts unconventional interplay between structure modes where substantial contribution to ...
Seongjoo Jung, Turan Birol
wiley +1 more source
Lossless and Lossy Characterization of the State of Perturbed Anharmonic Diatomics: An Information-Theoretic Compaction of Quantum Dynamics. [PDF]
J Chem Theory ComputHamilton JR, Levine RD.
europepmc +1 more source
AIChE Journal, Volume 72, Issue 4, April 2026.ABSTRACT Flexibility is a crucial characteristic of industrial systems that face increasing volatilities and is therefore essential to ensure feasible operation under uncertainty. Flexibility is often closely tied to the design of a system, and careful consideration must be taken to understand the trade‐off between design cost and operational ...
Jnana Sai Jagana +3 more
wiley +1 more source
<i>N</i> =1 Super Virasoro Tensor Categories. [PDF]
Commun Math PhysCreutzig T +3 more
europepmc +1 more source
Surface Functional Renormalization Group for Layered Quantum Materials
Annalen der Physik, Volume 538, Issue 4, April 2026.This work introduces surface functional renormalization group, a powerful method for studying strong electron correlations at surfaces of layered quantum materials. Applying it to a 3D Hubbard‐SSH model reveals how bulk coupling reshapes surface phases, uncovering regimes of antiferromagnetism, ferromagnetism, d‐wave superconductivity, and possible ...
Lennart Klebl, Dante M. Kennes
wiley +1 more source
Enhancing Air Quality Simulations With Neural Downscaling Architectures
Atmospheric Science Letters, Volume 27, Issue 4, April 2026.We present a machine learning‐based framework for downscaling air pollutant concentrations from 6 km to 1 km resolution over Europe. The model accurately reconstructs fine‐scale PM2.5 and NO2 patterns across scenarios using a single, generalizable architecture.
Maxime Beauchamp +5 more
wiley +1 more source
NeuberNet: a neural operator solving elastic-plastic partial differential equations at V-notches from low-fidelity elastic simulations. [PDF]
Commun EngGrossi T, Beghini M, Benedetti M.
europepmc +1 more source
Why Is the Peak Group Analysis So Effective for IR Spectra Analysis?
Journal of Chemometrics, Volume 40, Issue 4, April 2026.ABSTRACT Peak group analysis (PGA), an MCR algorithm, has proven to be very successful in extracting pure component spectra and concentration profiles from IR and Raman spectral data when investigating carbonylation reactions with transition metal catalysts.
Klaus Neymeyr +4 more
wiley +1 more source
Inf-sup stable space-time Local Discontinuous Galerkin method for the heat equation. [PDF]
J Sci ComputGómez S, Perinati C, Stocker P.
europepmc +1 more source
Ecography, Volume 2026, Issue 4, April 2026.Biodiversity modelling is essential for explaining and predicting ecological responses to environmental change and assessing progress towards targets in the Kunming‐Montreal Global Biodiversity Framework (CBD 2022). The UK benefits from rich biodiversity time‐series data and numerous open‐source environmental datasets.
Charlotte Rose Rush +3 more
wiley +1 more source