Advances in Molecular Simulation
| Advances in Molecular Simulation |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (288 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
3CL protease
ab initio molecular dynamics adsorption on nanoparticles aiMD antibody antimicrobial atomic structure atomistic simulation biological photosensors biomolecular simulation biomolecular solvation carbon nanotube CASTEP cluster coarse graining coarse-grained molecular simulation colloids with competing interactions compartment computer simulations confinement COVID-19 crystallization DFT DNA damage drag reduction engineering of red-shifted rhodopsins epitope extreme conditions force field force fields gemini generalized solvation free energy GPU programming graphene hairy nanoparticles hard sphere Janus particles Kovalenko-Hirata closure Kramers-Henneberger frame laser-matter interaction local free energy landscape local sampling main protease many body interactions membranes molecular dynamics molecular dynamics simulation molecular modeling molecular simulation molecular solvation theory Monte Carlo Monte Carlo simulation multiple time step MD multiscale mutation n/a nanocarriers nanochannel nanocomposites neural network numerical method order parameter osmolyte osmosis packing parametrisation periodic microphases PF-07321332 phase transition phase transitions photobiology polymorphism protein-ligand binding proton transport rhodopsins sampling SARS-CoV-2 self-assembly semi-flexible polymers spectral properties of rhodopsins spectral tuning in rhodopsins strong-field ionization surfactant molecules three-dimensional reference interaction site model time-dependent Schrödinger equation time-dependent unitary transformation method toll-like receptor water transport α-ketoamide |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557587203321 |
| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Lo trovi qui: Univ. Federico II | ||
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Exclusive Papers of the Editorial Board Members (EBMs) of the Materials Chemistry Section of Molecules
| Exclusive Papers of the Editorial Board Members (EBMs) of the Materials Chemistry Section of Molecules |
| Autore | Cirillo Giuseppe |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (294 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
amplified spontaneous emission
anti-counterfeit antiferromagnet biodistribution blood-brain barrier (BBB) caffeine carbon nanosheets central nervous system (CNS) colloidal heterostructures controlled drug delivery cross-coupling reactions crosslinking polymerization (curing) decomposition deep eutectic solvents degradation dendrimers double perovskite electrochemical sensors fullerols gold nanoparticles graphene nanoplatelets heterogeneous nucleation hexaazatrinaphthylenes high-κ dielectric honeycomb structures hybrid hydrogels hydroxycinnamic acids hypergolic reactions inkjet printing intranasal delivery ionic liquids lead halide perovskites liquid and solid state lysozyme mechanochemistry microwave irradiation microwaves modified couple stress theory nanocomposites nanoink nanomaterials nickel nitrite PbS/TiO2 heterostructure phase transitions photoluminescence photothermal effect polymer-derived ceramics protein crystallization quasi-3d hyperbolic shear deformation theory sandwich structures secure writing seed mediated growth self-assembled polymeric nanoparticles sensors Si3N4 SiC sodium peroxide solvent-free structural properties sustainability tellurium thermal analysis thin films TiC TiN TiO2 nanocrystal defects tungsten ultrasounds useful energy vibration analysis water |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Exclusive Papers of the Editorial Board Members |
| Record Nr. | UNINA-9910557364403321 |
Cirillo Giuseppe
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Lo trovi qui: Univ. Federico II | ||
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Fluctuation Relations and Nonequilibrium Thermodynamics in Classical and Quantum Systems
| Fluctuation Relations and Nonequilibrium Thermodynamics in Classical and Quantum Systems |
| Autore | De Chiara Gabriele |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (158 p.) |
| Soggetto topico | History of engineering and technology |
| Soggetto non controllato |
athermality
binomial states cavitation coherence collision model collisional models condensation of fluctuations Crooks equality Curzon-Ahlborn efficiency endoreversible quantum thermodynamics ergotropy fluctuation relation fluctuation relations fluctuation theorems generalised coherent states information thermodynamics large deviations laser cooling magnetic cycle many-body quantum systems nonequilibrium systems phase transitions photon added thermal state photon subtracted thermal state quantum correlations quantum heat engines quantum otto cycle quantum Otto engine quantum thermodynamics sonoluminescence thermalization |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557744503321 |
De Chiara Gabriele
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Lo trovi qui: Univ. Federico II | ||
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From Quantum Paraelectric/Ferroelectric Perovskite Oxides to High Temperature Superconducting Copper Oxides -- In Honor of Professor K.A. Müller for His Lifework
| From Quantum Paraelectric/Ferroelectric Perovskite Oxides to High Temperature Superconducting Copper Oxides -- In Honor of Professor K.A. Müller for His Lifework |
| Autore | Bussmann-Holder Annette |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (312 p.) |
| Soggetto topico |
Mathematics & science
Research & information: general |
| Soggetto non controllato |
18O
3d impurities anti-Jahn-Teller effect BCS-BEC cross-over charge density wave coherence length color centers correlated Femi liquid cuprate superconductors cuprates elasticity Electron Paramagnetic Resonance (EPR) electron-phonon interaction electronic correlations ENDOR external stress ferroelastic ferroelectricity first-principles calculation flexoelectricity fluctuation granular superconductivity helium atom scattering heterostructure high-temperature cuprate superconductors high-temperature superconductivity Hund's coupling spin-triplet and spin-singlet multiplets interface isotope exchange isotope substitution Jahn-Teller Kamimura-Suwa model Kondo effect lattice-spin-charge landscapes LSCO magnetic penetration depth magnetic resonance magnetic semiconductor spintronics magnetoelectric multiglass Mott transition multiferroicity n/a NMR order parameter orientational polarization permittivity perovskite perovskite crystals perovskite oxides phase coexistence phase separation phase transitions polar metal polar nanoregions polaronic superconductivity polarons Pseudo-Jahn-Teller effect pseudogap quantum fluctuations quantum paraelectricity spin relaxation rate spin-polarized band SrTiO3 SrTiO3/LaAlO3 strange metal strontium titanate superconducting gap structure superconductivity topological insulator topological materials transition metal dichalcogenide transition metal dichalcogenides transition metal oxides tungsten oxide WO3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557434003321 |
Bussmann-Holder Annette
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Lo trovi qui: Univ. Federico II | ||
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Geometric Analysis of Nonlinear Partial Differential Equations
| Geometric Analysis of Nonlinear Partial Differential Equations |
| Autore | Lychagin Valentin |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (204 p.) |
| Soggetto topico |
Mathematics & science
Research & information: general |
| Soggetto non controllato |
adjoint-symmetry
Chebfun chebop clamped Clifford algebras contact spaces contact symmetry cylindrical and spherical waves Darboux transforms Darboux-Bäcklund transformation differential coverings differential invariants discretization drift eigenpairs error control Euler equation Euler equations exact solutions free resolution geometrical formulation head shock wave hinged boundary condition integrable systems invariant derivations isothermic immersions KdV type hierarchies Korteweg-de Vries-Burgers equation Lagrangian curve flows Levi-Civita connections linearization media with inner structures Navier-Stokes equations nonlocal conservation laws one-form optimal investment theory periodic boundary conditions phase transitions plane molecules polynomial and rational invariants preconditioning quotient equation saw-tooth solutions shockwaves spectral collocation Spin groups Sturm-Liouville symmetries symmetry symplectic syzygy vector field water |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557351103321 |
Lychagin Valentin
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Lo trovi qui: Univ. Federico II | ||
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Many Body Quantum Chaos
| Many Body Quantum Chaos |
| Autore | Wimberger Sandro |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (222 p.) |
| Soggetto topico | Research and information: general |
| Soggetto non controllato |
adiabatic separation
Anderson localisation Arnol'd cat atom-optics kicked rotor Aubry-André model Bose-Einstein condensate Bose-Einstein condensates classical limit cold atoms continuous-time quantum walks correlation functions correlation hole correspondence principle dark matter decoherence Dirac bosons dissipation dynamical chaos dynamical localisation effective action fluctuation theorems fractal Weyl law Frenkel-Kontorova Gross-Pitaevskii equation interacting fermions long-range interactions Lorentzian potential mean field analysis Morse oscillator nonequilibrium statistical mechanics nonlinear Schrödinger equation periodically kicked system phase transitions quantum chaos quantum interference quantum kicked rotor quantum resonance quantum thermodynamics quantum transport quantum tunneling revival dynamics Schrödinger-Poisson equation sector condition semiclassical approximation Sinai oscillator sine-Gordon kink survival probability thermalization topological horseshoe trapped ions uniformly hyperbolicity |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557291003321 |
Wimberger Sandro
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Lo trovi qui: Univ. Federico II | ||
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Modern Approaches to Non-Perturbative QCD and other Confining Gauge Theories
| Modern Approaches to Non-Perturbative QCD and other Confining Gauge Theories |
| Autore | Antonov Dmitry |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 online resource (298 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
Abelian projection
center vortex model center vortices chiral symmetry confinement confinement models cooling cores dark energy dark matter dense matter effective field theory Effective String Theories ensembles and effective fields finite temperature galaxy rotation curves gauge theory halos higher order theories lattice field theory Lattice Gauge Theories lattice gauge theory lattice QCD localization low surface brightness magnetic catalysis magnetic disorder magnetic flux symmetry magnetic monopoles mass-density monopole monopoles n/a phase transitions profiles pure Yang-Mills theory QCD quantum chromodynamics quark condensate spontaneous symmetry breaking topological interactions topological solitons topology ultralight axion particles vacuum structure |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910566474803321 |
Antonov Dmitry
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Lo trovi qui: Univ. Federico II | ||
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Pressure-Induced Phase Transformations
| Pressure-Induced Phase Transformations |
| Autore | Errandonea Daniel |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (224 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
band gap
benzene phase I carbon dioxide carbonates computational methods dehydration reaction DFT and Force Field methods electrical conductivity electrical resistivity energy calculations epsomite extreme conditions Fe frustrated magnets fullerenes heat flow high pressure high-pressure high-temperature experiments high-pressure measurements high-pressure phase transitions homogeneous melting infrared laser intermolecular interactions Landau theory laser-heated diamond anvil cell Laue diffraction mechanisms of phase transitions melting curve melting transition metastable phase molecular crystals molecular dynamics simulation multi-phase materials n/a nonlinear elasticity theory optical absorption Ostwald's step rule perovskites phase diagram phase transition phase transitions polymerization pressure-induced quantum molecular dynamics quantum phase transitions quantum spin liquids Raman Raman spectra reactivity rhenium sesquioxides synchrotron radiation thermal and chemical convection thermal conductivity tungsten vanadate Z methodology zircon |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557286903321 |
Errandonea Daniel
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Lo trovi qui: Univ. Federico II | ||
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Pressure-Induced Phase Transformations (Volume II)
| Pressure-Induced Phase Transformations (Volume II) |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2023 |
| Descrizione fisica | 1 online resource (306 p.) |
| Soggetto topico |
Physics
Research and information: general |
| Soggetto non controllato |
ab initio
ab initio calculations alpha-epsilon antiferroelectric band gap charge density wave chemical components chemical substitution copper halides corresponding states CrVO4-type structure density functional theory di-p-tolyl disulfide DyScO3 elastic anomalies elasticity electronic properties electronic transition elemental solids enthalpy difference components equation of state ferroelectric FeVO4 under pressure first principles first principles calculations first-principles garnet group VB transition metals hardening-like effect hidden polymorph high pressure high pressure and high temperature high pressure diffraction high-pressure DFT high-pressure effects high-pressure polymorph high-pressure studies HPHT diamond inclusion infrared spectroscopy iron kinetic lines LaAgSb2 LaAuSb2 lattice dynamics luminescence mechanical properties metastability molecular crystals molecular dynamics simulations niobate nonequilibrium conditions phase boundaries phase diagram phase relations phase stability phase transformation phase transition phase transitions phonons PL mapping plasticity pressure Raman Raman modes Raman scattering Raman spectroscopy ramp rare earth orthophosphate rare earth tantalates relative stability resistivity shock wave stability structural transition synchrotron radiation tensile strain topological analysis of bonds vibrational properties Wigner-Seitz radii X-ray diffraction |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Pressure-Induced Phase Transformations |
| Record Nr. | UNINA-9910743272903321 |
| MDPI - Multidisciplinary Digital Publishing Institute, 2023 | ||
| Lo trovi qui: Univ. Federico II | ||
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Processing-Structure-Properties Relationships in Polymers
| Processing-Structure-Properties Relationships in Polymers |
| Autore | Pantani Roberto |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 online resource (400 p.) |
| Soggetto topico | History of engineering and technology |
| Soggetto non controllato |
3D printing/additive manufacturing
atomic force microscopy biaxial elongation biobased films biodegradable nanofibers bioresorbable polymers bioresorbable vascular scaffolds breathable film carbon black carbon nanotube cavitation chain orientation collagen compatibilizer composite composites compression molding conductive filler conductive polymer composites contact angle controllable gas permeability copper clad laminate critical gel crystalline morphology crystallinity crystallisation curing rate deformation degradation electrical conductivity epinephrine epoxy microstructure ethylene vinyl acetate fatigue flame retardant flow foam fused filament fabrication/fused deposition modelling gel graphene graphite Harmonix AFM homogeneous dispersion humidity hydrophobicity in situ X-ray incremental forming indentation injection molding intrinsic viscosity ionic liquids isotactic polypropylene layered double hydroxides lidocaine linear coefficient of thermal expansion (CTE) mechanical performance mechanical properties melamine polyphosphate microcellular injection molding microencapsulation microfibrillar composites model mold temperature evolution morphology nanoparticles nanoreinforcement octakis[(3-glycidoxypropyl)dimethylsiloxy]octasilsesquioxane (GPOSS) orientation phase transitions physicochemical characterization PLA PLGA PLLA poly(?-caprolactone) poly(ethylene terephthalate) poly(lactic acid) polyamide 6 polycaprolactone polyimide film polymer blend polymer composite polymer morphology polymorphism polyolefin polyoxymethylene (POM) polypropylene polyurethane polyvinyl butyral processing reactive blending SAXS shear SPIF stress-induced phase transitions stretch blow molding structural analysis structure and properties supercritical CO2 supercritical fluid supercritical N2 temperature temperature sensitive tissue engineering and regenerative medicine ultra-high molecular weight polyethylene ultra-high molecular weight polyethylene (UHMWPE) uniaxial compression uniaxial tensile deformation WAXS X-ray diffraction XRD |
| ISBN | 3-03921-881-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910367739503321 |
Pantani Roberto
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Lo trovi qui: Univ. Federico II | ||
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