Results 1 to 10 of about 195 (135)

Local Morphisms and Modules with a Semilocal Endomorphism Ring [PDF]

Algebras and Representation Theory, 2006
An associative ring with 1 is said to be semilocal provided it is semisimple artinian modulo its Jacobson radical, that is, modulo its Jacobson radical it is isomorphic to a finite product of matrices over division rings. Modules with a semilocal endomorphism ring inherit some properties of semisimple modules. For example, they can be decomposed into a
Alberto Facchini, Dolors Herbera
exaly   +6 more sources

An Energy-Corrected Fast Post-SCF Local-Hybrid Scheme for Highly Accurate Energy Differences of Large Main-Group Systems. [PDF]

J Comput Chem
A post‐SCF energy‐corrected local‐hybrid scheme, EC(LH)@(m)GGA, is introduced, in which hyper‐meta‐GGA ingredients obtained from inexpensive meta‐GGA or GGA orbitals are used as input for a single local‐hybrid energy evaluation. Using LH25nP as a prototype, this strategy retains the characteristic accuracy and strong‐correlation improvement of the ...
Wodyński A, Kaupp M.
europepmc   +2 more sources

Residual Chemical Shift Anisotropies in the Structure Determination of Small Molecules. [PDF]

Magn Reson Chem
Plasma neutrophil elastase(ELANE) was markedly elevated in patients with alcohol use disorder, indicating a dysregulated protease‐antiprotease inflammatory balance characterised by decreased SERPINA3. ELANE showed excellent diagnostic specificity(AUC = 0.8683), supporting its potential utility as a neuroinflammatory biomarker for AUD.
Nath N, Monteverde JCF, Pathak S, Griesinger C.   +3 more
europepmc   +2 more sources

Signatures on semilocal rings [PDF]

Bulletin of the American Mathematical Society, 1972
Research Announcement dazu in Bulletin of the American Mathematical Society 78, 62-64 (1972)
Knebusch, Manfred, Rosenberg, Alex, Ware, Roger   +2 more
openaire   +3 more sources

When is a semigroup ring of a commutative semigroup local or semilocal?

Journal of Algebra, 1987
Let S be a commutative semigroup and let R be a ring which is not Jacobson radical. Conditions for the semigroup ring R[S] to be semilocal or local are found in terms of the least separative and p-separative congruences on S. This is done through a description of semilocal semilattice-graded rings with non-radical homogeneous components, applied to the
Wauters, P, Jespers, E
openaire   +2 more sources

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

Advanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez, Cibrán López, Edgardo Saucedo, Teruyasu Mizoguchi, Claudio Cazorla   +4 more
wiley   +1 more source

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

Advanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi, Yu Kumagai, Arata Takamatsu, Fumiyasu Oba   +3 more
wiley   +1 more source

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

Advanced Intelligent Systems, EarlyView.
Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica, Kostya S. Novoselov, Seongmin Kim, Yousung Jung, Silvana Botti, Miguel A. L. Marques, Tigany Zarrouk, Miguel A. Caro, Sanggyu Chong, Michele Ceriotti, Marivi Fernandez‐Serra, Sara Navarro‐Rodriguez, Aakash Ashok Naik, Janine George, Ömer Hasan Omar, Victor Trinquet, Gian‐Marco Rignanese, Andrey Ustyuzhanin, Sonia Conesa‐Boj, Juan Rojo, Minh‐Tuan Dau, Simon M.‐M. Dubois, Jean‐Christophe Charlier, Jose H. Garcia, Romain Gautier, Rachid Laref, Junfeng Qiao, Giovanni Pizzi, Nicola Marzari, Camilla Coletti, Antonio Rossi, Jan‐Lucas Uslu, Chiara Zanardi, Vincenzo Palermo, Wide Hogenhout, Natalia Konchakova, Peter Klein, Tejs Vegge, Stephan Roche   +38 more
wiley   +1 more source

Machine‐Learning‐Assisted Discovery and Accelerated Synthesis of Metal Phosphosulfides

Small, EarlyView.
The synthesizability and band gaps of 909 hypothetical ternary phosphosulfides are evaluated by a combination of density functional theory and multi‐fidelity machine learning. The accelerated material development workflow is extended to the experimental domain by demonstrating a route to high‐throughput synthesis and characterization of virtually any ...
Javier Sanz Rodrigo, Nicholas A. Kryger‐Nelson, Lena A. Mittmann, Eugène Bertin, Ivano E. Castelli, Andrea Crovetto   +5 more
wiley   +1 more source

Alkali Chalcogenido Dialuminates A6[Al2Q6] (A = K, Rb, Cs; Q = S, Se, Te)

Zeitschrift für anorganische und allgemeine Chemie, EarlyView.
Seven new alkali chalcogenido aluminates A6[Al2Q6] (A = K‐Cs, Q = S‐Te) complement the family of simple metallates(III) A6[M2Q6] (M = Al‐In, FeIII) with dinuclear anions of two edge sharing [AlQ4] tetrahedra. Despite the similar anions, straightforward bonding situation and physical properties, these metallates crystallize in seven different structure ...
Michael Schwarz, Vincent Daiber, Caroline Röhr   +2 more
wiley   +1 more source