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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 electronic resource (288 pages) |
| Soggetto topico | Technology |
| Soggetto non controllato |
molecular dynamics simulation
osmosis water transport nanochannel carbon nanotube graphene osmolyte compartment rhodopsins spectral properties of rhodopsins spectral tuning in rhodopsins engineering of red-shifted rhodopsins photobiology biological photosensors molecular modeling multiscale coarse graining Monte Carlo simulation force fields neural network many body interactions sampling local sampling local free energy landscape generalized solvation free energy molecular solvation theory three-dimensional reference interaction site model Kovalenko-Hirata closure biomolecular simulation multiple time step MD protein-ligand binding biomolecular solvation antibody epitope molecular dynamics mutation toll-like receptor GPU programming DNA damage proton transport drag reduction surfactant molecules self-assembly coarse-grained molecular simulation numerical method laser-matter interaction time-dependent Schrödinger equation time-dependent unitary transformation method strong-field ionization Kramers-Henneberger frame hairy nanoparticles adsorption on nanoparticles nanocarriers computer simulations COVID-19 SARS-CoV-2 PF-07321332 α-ketoamide 3CL protease main protease DFT CASTEP aiMD ab initio molecular dynamics phase transition polymorphism Janus particles phase transitions gemini force field parametrisation antimicrobial membranes colloids with competing interactions periodic microphases confinement Monte Carlo atomistic simulation molecular simulation hard sphere extreme conditions nanocomposites cluster crystallization atomic structure packing semi-flexible polymers order parameter |
| 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 electronic resource (312 p.) |
| Soggetto topico |
Research & information: general
Mathematics & science |
| Soggetto non controllato |
ferroelastic
WO3 polarons polaronic superconductivity transition metal dichalcogenides magnetic semiconductor spintronics transition metal oxides lattice-spin-charge landscapes elasticity superconductivity cuprates magnetic penetration depth order parameter superconducting gap structure Kondo effect spin relaxation rate magnetic resonance strontium titanate quantum paraelectricity quantum fluctuations ferroelectricity isotope exchange external stress polar metal phase coexistence magnetoelectric multiglass Electron Paramagnetic Resonance (EPR) ENDOR Jahn-Teller color centers 3d impurities perovskite SrTiO3 18O isotope substitution SrTiO3/LaAlO3 interface heterostructure tungsten oxide phase separation cuprate superconductors electronic correlations NMR pseudogap perovskite crystals Pseudo-Jahn-Teller effect multiferroicity permittivity flexoelectricity polar nanoregions orientational polarization LSCO anti-Jahn-Teller effect first-principles calculation Kamimura-Suwa model spin-polarized band Hund's coupling spin-triplet and spin-singlet multiplets high-temperature superconductivity correlated Femi liquid charge density wave fluctuation strange metal coherence length granular superconductivity Mott transition BCS-BEC cross-over electron-phonon interaction topological insulator topological materials transition metal dichalcogenide helium atom scattering perovskite oxides phase transitions high-temperature cuprate superconductors |
| 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 | ||
| ||