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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
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
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  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Materiale a stampa
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  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020
Materiale a stampa
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  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
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  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
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  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
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  
Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
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  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
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
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
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  
MDPI - Multidisciplinary Digital Publishing Institute, 2019
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui

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