Info
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 | ||
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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 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||