Search results for "Quantum"

showing 10 items of 9714 documents

Quantum Creativity and Cognition in Humans and Robots

2022

In this research, we present a categorical framework to connect research on creativity and cognition for humans and robots, in light of the quantum paradigm. These fields and their relationships suggest a wider vision: modeling human creativity/cognition through quantum computing, and creating robots that can help us learn more about the humans themselves. We represent the human–robot comparison through functors (function generalization). Fundamental elements to understand human creativity are motivation and feedback as aesthetic pleasure. Is it possible to model it? Can the quantum paradigm help us in such an endeavor? We envisage the concept of emergence and quantum computing as decisive…

creativity modelingswarm intelligenceGeneral MedicineQuantum computingJournal of Artificial Intelligence and Consciousness
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Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene

2019

The dihedral angle between the 4-fluoro­phenyl ring and the nitro-substituted benzene ring of the title compound is 63.29 (8)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into chains parallel to the c axis. The crystal packing is further stabilized by C—Cl⋯π, C—F⋯π and N—O⋯π inter­actions

crystal structureHydrogen bondChemistryStackingGeneral ChemistryCrystal structureDihedral angleCondensed Matter::Mesoscopic Systems and Quantum Hall EffectCondensed Matter PhysicsRing (chemistry)hydrogen bondingResearch Communications4-fluoro­phenyl ringCrystallcsh:ChemistryCrystallographylcsh:QD1-999Nitro4-fluorophenyl ringHirshfeld surface analysisGeneral Materials Sciencenitro-substituted benzene ringActa Crystallographica Section E: Crystallographic Communications
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Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

2019

Akkurt, Mehmet/0000-0003-2421-0929; Saylam, Merve/0000-0002-7602-4565

crystal structureHydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter::Mesoscopic Systems and Quantum Hall Effecthydrogen bonding010402 general chemistry010403 inorganic & nuclear chemistryCondensed Matter PhysicsRing (chemistry)01 natural sciences13-benzoxazole ring system0104 chemical scienceslcsh:ChemistryCrystaldimerschemistry.chemical_compoundCrystallographylcsh:QD1-999chemistryHirshfeld surface analysisGeneral Materials ScienceBenzeneAcetamideActa Crystallographica Section E Crystallographic Communications
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Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide

2019

TARAMAPUBMED TARAMASCOPUS TARAMAWOS In the cation of the title salt, C16H15FN3S+·Br−, the phenyl ring is disordered over two sets of sites with a refined occupancy ratio of 0.503 (4):0.497 (4). The mean plane of the thia­zolidine ring makes dihedral angles of 13.51 (14), 48.6 (3) and 76.5 (3)° with the fluoro­phenyl ring and the major- and minor-disorder components of the phenyl ring, respectively. The central thia­zolidine ring adopts an envelope conformation. In the crystal, centrosymmetrically related cations and anions are linked into dimeric units via N—H...Br hydrogen bonds, which are further connected by weak C—H...Br hydrogen bonds into chains parallel to [110]. Hirshfeld surface an…

crystal structureStackingCrystal structure010402 general chemistryRing (chemistry)01 natural sciencesCrystalHirshfeld surface analysis.chemistry.chemical_compoundBromideThia­zolidine ringcharge assisted hydrogen bondingHirshfeld surface analysisGeneral Materials ScienceBenzeneCrystallography010405 organic chemistryHydrogen bondIminiumdisorderGeneral ChemistryCondensed Matter::Mesoscopic Systems and Quantum Hall EffectCondensed Matter Physics0104 chemical sciencesCrystallographychemistryQD901-999thiazolidine ringActa Crystallographica Section E Crystallographic Communications
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Geometrical and conformational preferences of the 9‐fluorenylmethoxycarbonyl‐amino moiety

2004

Structural parameters, originating from x-ray crystallographic data, have been compiled for 13 derivatives of amino acids, peptides and related compounds, which contain a total of 14 Fmoc-NH- moieties. For these moieties, molecular geometries and conformations--described by the omegao, theta1, theta2 and theta3' torsion angles--were analysed and compared with the corresponding parameters for the Z-NH- and Boc-NH-moieties (290 and 553, respectively). To gain a deeper insight into the conformational features of the Fmoc-NH- moiety, ab initio free molecule calculations were performed for fully relaxed minima. Also the potential energy surface as a function of the torsion angles (theta3', theta…

crystal structureStereochemistryAb initioMolecular ConformationCrystal structureCrystallography X-RayBiochemistryBoc amino protectionStructure-Activity RelationshipfluoreneStructural BiologyAb initio quantum chemistry methodsDrug DiscoveryMoleculeMoietyurethane geometryFmoc amino protectionAmino AcidsMolecular BiologyPharmacologyFluorenesMolecular StructureChemistryHydrogen bondab initio calculationsOrganic ChemistryHydrogen BondingGeneral MedicineZ amino protectionMolecular geometryPotential energy surfaceMolecular MedicineCrystallizationPeptidesN‐terminally protected peptidesJournal of Peptide Science
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Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional…

2014

The crystal structure of 9H-carbazole, C12H9N, (I), has been redetermined at low temperature for use as a reference structure in a comparative study with the structures of 1-nitro-9H-carbazole, C12H8N2O2, (II), and 9-nitrocarbazole, C12H8N2O2, (III). The molecule of (I) has crystallographically imposed mirror symmetry (Z′ = 0.5). All three solid-state structures are slightly nonplanar, the dihedral angles between the planes of the arene and pyrrole rings ranging from 0.40 (7)° in (III) to 1.82 (18)° in (II). Nevertheless, a density functional theory (DFT) study predicts completely planar conformations for the isolated molecules. To estimate the influence of nitro-group substitution on aroma…

crystal structuremolecular electronicsSubstituentStackingElectronsbiological activityCrystal structureDihedral angleCrystallography X-RayDFT calculationsInorganic Chemistrychemistry.chemical_compoundDelocalized electronHOMA indexMaterials ChemistryPhysical and Theoretical ChemistryMolecular StructureHydrogen bondTemperatureHydrogen BondingAromaticityNitro CompoundsCondensed Matter PhysicsCrystallographycarbazoleselectron-withdrawing effectschemistryQuantum TheoryDensity functional theoryActa Crystallographica Section C-Structural Chemistry
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Quantum effects, anomalies and renormalization in Electrodynamics, Cosmology and Black Holes

2023

La Teoria Quàntica de Camps en Espais Corbats ha demostrat ser una teoria semi-clàssica molt útil per a l'estudi de fenòmens físics que combinen gravetat i efectes quàntics. En particular, prediu que la dinàmica d'un camp gravitacional de fons pot excitar espontàniament partícules a partir del buit quàntic. El procés de producció de partícules té una importància especial en l'estudi de l'univers primerenc en cosmologia i és la base de la radiació de Hawking en la física dels forats negres. Físicament, aquest efecte quàntic és anàleg a l'efecte Schwinger ben conegut en l'electrodinàmica quàntica. L'objectiu d'aquesta Tesi és estudiar aquest fenomen general de producció de partícules, així co…

curved spacequantumUNESCO::FÍSICAanomaliessemi-classicquantum field theoryblack holesrenormalization
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Estimating QCD uncertainties in Monte Carlo event generators for gamma-ray dark matter searches

2018

Motivated by the recent galactic center gamma-ray excess identified in the Fermi-LAT data, we perform a detailed study of QCD fragmentation uncertainties in the modeling of the energy spectra of gamma-rays from Dark-Matter (DM) annihilation. When Dark-Matter particles annihilate to coloured final states, either directly or via decays such as $W^{(*)}\to q\bar{q}'$, photons are produced from a complex sequence of shower, hadronisation and hadron decays. In phenomenological studies, their energy spectra are typically computed using Monte Carlo event generators. These results have however intrinsic uncertainties due to the specific model used and the choice of model parameters, which are diffi…

dark matter simulationsParticle physicsCosmology and Nongalactic Astrophysics (astro-ph.CO)PhotonAstrophysics::High Energy Astrophysical Phenomenamodel [hadronization]SLDgamma ray theoryDark matterMonte Carlo methodHadronFOS: Physical sciencesmass [dark matter]01 natural sciencesHigh Energy Physics - Phenomenology (hep-ph)fragmentationquantum chromodynamics0103 physical sciencesconservation lawddc:530High Energy PhysicsMonte Carloenergy spectrum [gamma ray]Quantum chromodynamicsPhysicsdark matter theoryAnnihilation010308 nuclear & particles physicsphotonGamma rayCERN LEP StorAstronomy and AstrophysicsshowersGalaxyHigh Energy Physics - PhenomenologyannihilationExperimental High Energy PhysicsHigh Energy Physics::Experimentgalaxydecay [hadron]GLAST [interpretation of experiments]Astrophysics - Cosmology and Nongalactic Astrophysics
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Time-domain effective-one-body gravitational waveforms for coalescing compact binaries with nonprecessing spins, tides and self-spin effects

2018

We present TEOBResumS, a new effective-one-body (EOB) waveform model for nonprecessing (spin-aligned) and tidally interacting compact binaries.Spin-orbit and spin-spin effects are blended together by making use of the concept of centrifugal EOB radius. The point-mass sector through merger and ringdown is informed by numerical relativity (NR) simulations of binary black holes (BBH) computed with the SpEC and BAM codes. An improved, NR-based phenomenological description of the postmerger waveform is developed.The tidal sector of TEOBResumS describes the dynamics of neutron star binaries up to merger and incorporates a resummed attractive potential motivated by recent advances in the post-Newt…

data analysis methodneutron star: binaryGravitational waves effective-one-bodyAstronomyBinary numberFOS: Physical sciencesalternative theories of gravityGeneral Relativity and Quantum Cosmology (gr-qc)Parameter spacegravitational radiation: direct detection01 natural sciencesGeneral Relativity and Quantum CosmologyNumerical studies of other relativistic binaries; Neutron stars; black holes (astrophysics); Gravitational wavesNeutron starsGravitational wavesGravitationBinary black holebinary: coalescence0103 physical sciencesnumerical methodsblack holes (astrophysics)010306 general physicsGeneral Relativity and Quantum Cosmology; General Relativity and Quantum Cosmologyequation of statePhysics010308 nuclear & particles physicsNumerical studies of other relativistic binarieshigher-order: 0spin: effectGravitational Waves analytical template modeling LIGO Virgo numerical relativity Neutron Stars parameter estimationRadiusbinary: compactLIGOgravitational radiation detectorComputational physicsFIS/02 - FISICA TEORICA MODELLI E METODI MATEMATICIdetector: sensitivityNeutron starNumerical relativityblack hole: binaryGeneral relativityrelativity theorygravitation: self-force[PHYS.GRQC]Physics [physics]/General Relativity and Quantum Cosmology [gr-qc]effective-one-body
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Enhancing the luminescence efficiency of silicon-nanocrystals by interaction with H+ions

2018

The emission of silicon nanocrystals (Si-NCs), synthesized by pulsed laser ablation in water, was investigated on varying the pH of the solution. These samples emit μs decaying orange photoluminescence (PL) associated with radiative recombination of quantum-confined excitons. Time-resolved spectra reveal that both the PL intensity and the lifetime increase by a factor of ∼20 when the pH decreases from 10 to 1 thus indicating that the emission quantum efficiency increases by inhibiting nonradiative decay rates. Infrared (IR) absorption and electron paramagnetic resonance (EPR) experiments allow addressing the origin of defects on which the excitons nonradiatively recombine. The linear correl…

defectMaterials sciencePhotoluminescenceExcitonGeneral Physics and Astronomy02 engineering and technology010402 general chemistryPhotochemistry01 natural sciencesIonlaw.inventionlawluminescenceSpontaneous emissionQuantum confinementPhysical and Theoretical ChemistryElectron paramagnetic resonanceSilicon nanocrystalsilicon021001 nanoscience & nanotechnologyphotoluminescence efficiencysilicon nanoparticles luminescence0104 chemical sciencesAmorphous solidlaser ablationQuantum efficiencynanoparticles0210 nano-technologyLuminescence
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