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Ab initio Calculation Tutorial : For Materials Analysis, Informatics and Design / / by Ryo Maezono
| Ab initio Calculation Tutorial : For Materials Analysis, Informatics and Design / / by Ryo Maezono |
| Autore | Maezono Ryo |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (285 pages) |
| Disciplina | 780 |
| Soggetto topico |
Density functionals
Materials science - Data processing Electronic structure Quantum chemistry - Computer programs Materials Chemistry Computer simulation Density Functional Theory Electronic Structure Calculations Computational Materials Science Computational Design Of Materials |
| ISBN | 9789819909193 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- Preparing tutorial environments -- Sequence of computational procedure -- Determining computational conditions -- Points to understand in background theories. . |
| Record Nr. | UNINA-9910726296303321 |
Maezono Ryo
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advanced Nanomaterials for Energy Storage Devices / / edited by Ramachandra Naik, H. P. Nagaswarupa, H. C. Ananda Murthy, Mika E. T. Sillanpää
| Advanced Nanomaterials for Energy Storage Devices / / edited by Ramachandra Naik, H. P. Nagaswarupa, H. C. Ananda Murthy, Mika E. T. Sillanpää |
| Autore | Naik Ramachandra |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (206 pages) |
| Disciplina | 541.2 |
| Altri autori (Persone) |
NagaswarupaH. P
Ananda MurthyH. C SillanpääMika E. T |
| Collana | Nanostructure Science and Technology |
| Soggetto topico |
Nanochemistry
Materials Catalysis Force and energy Chemistry Computer simulation Nanotechnology Materials for Energy and Catalysis Computational Design Of Materials |
| ISBN |
9783031747304
3031747305 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction to Nanomaterials for Energy Storage -- Fundamentals of Computational Design in Nanomaterials -- Computational modelling of radiative magneto Maxwell nanofluid: An application to improving the efficiency of energy conversion and storage systems -- Characterization methods for Nanomaterials in energy storage -- Synthesis Techniques for Novel Nanomaterials -- Advanced Synthesis Strategies for Enhanced Energy Storage Performance -- In-situ Characterization techniques for Energy Storage Applications -- Case Studies: Nanomaterials in Specific Energy Storage Devices -- Advanced Electrode for Energy Storage: Types and Fabrication Techniques -- Challenges and Opportunities in Nanomaterials for Energy Storage -- Future Perspectives and Emerging Trends in Nanomaterials for Energy Storage. |
| Record Nr. | UNINA-9910908365003321 |
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Naik Ramachandra
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advances in Organic Crystal Chemistry : Comprehensive Reviews 2025 on Crystal Structures / / edited by Seiya Kobatake, Hidehiro Uekusa
| Advances in Organic Crystal Chemistry : Comprehensive Reviews 2025 on Crystal Structures / / edited by Seiya Kobatake, Hidehiro Uekusa |
| Autore | Kobatake Seiya |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (474 pages) |
| Disciplina | 548 |
| Altri autori (Persone) | UekusaHidehiro |
| Soggetto topico |
Crystallography
Solid state chemistry Condensed matter Chemical structure Materials Chemistry Computer simulation Crystallography and Scattering Methods Solid-State Chemistry Structure of Condensed Matter Structure And Bonding Computational Design Of Materials |
| ISBN | 9789819659845 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Nucleation and Crystal Growth -- Operation Design of Reactive Crystallization for Organic Crystalline Particles with High Homogeneity -- Nuclei Formation in Pharmaceutical Glasses -- Chapter 3. Surface Plasmon Resonance Induced Nucleation of Protein -- New Aspect of Asymmetric Synthesis Involving Spontaneous Mirror Symmetry Breaking via Dynamic Crystallization -- Heterogeneous Aggregation Dynamics during Solvent Evaporation Process as Revealed by Fluorescence Imaging -- Chirality Switching in Enantiomer Separation via Diastereomeric Salt Formation -- Design of Crystal Structure -- Toward Computational Design of Molecular Crystals -- Structure Determination of Organic Materials from Powder X-ray Diffraction Data: Opportunities for Multi-Technique Synergy -- Quantitative Crystal Structure Comparison -- Recent Attempts of Time-Resolved Crystallography in Photon Factory -- Design and Construction of Isoreticular Hydrogen-Bonded Organic Frameworks -- Crystal Engineering of the Photochromic Organic Compounds -- Crystal Structure Control and Functionalization of Unique Shape Molecules -- Carbazole-Derivatives as Platforms for Luminescent Organic and Hybrid Crystalline Materials -- π-Conjugated Ionic Crystals for Materials Toward Electronics and Photonics Applications -- Crystal Cross-Linking by Using Metal-Organic Frameworks -- Interactions of Charge-Transfer Complexes and Molecular Alignment in Crystals. |
| Record Nr. | UNINA-9911018762603321 |
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Kobatake Seiya
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Cohesive Zone Modelling for Fatigue Life Analysis of Adhesive Joints / / by Alireza Akhavan-Safar, Eduardo A. S. Marques, Ricardo J. C. Carbas, Lucas F. M. da Silva
| Cohesive Zone Modelling for Fatigue Life Analysis of Adhesive Joints / / by Alireza Akhavan-Safar, Eduardo A. S. Marques, Ricardo J. C. Carbas, Lucas F. M. da Silva |
| Autore | Akhavan-Safar Alireza |
| Edizione | [1st ed. 2022.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022 |
| Descrizione fisica | 1 online resource (99 pages) |
| Disciplina |
621.825
668.3 |
| Altri autori (Persone) |
MarquesEduardo A. S
CarbasRicardo J. C Martins da SilvaLucas Filipe <1973-.> |
| Collana | SpringerBriefs in Computational Mechanics |
| Soggetto topico |
Materials - Fatigue
Materials Chemistry Computer simulation Continuum mechanics Materials Fatigue Computational Design Of Materials Continuum Mechanics |
| ISBN | 3-030-93142-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Cohesive zone modelling (CZM) -- CZM analysis for quasi static loading conditions -- Fatigue degradation models for adhesives -- Fatigue modelling of adhesive joints using CZM -- Mixed mode fatigue life analysis of a single lap adhesive joint using CZM. |
| Record Nr. | UNINA-9910522923803321 |
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Akhavan-Safar Alireza
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Materials Informatics I : Methods / / edited by Kunal Roy, Arkaprava Banerjee
| Materials Informatics I : Methods / / edited by Kunal Roy, Arkaprava Banerjee |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (XVII, 288 p. 66 illus., 53 illus. in color.) |
| Disciplina | 542.85 |
| Collana | Challenges and Advances in Computational Chemistry and Physics |
| Soggetto topico |
Cheminformatics
Materials Chemistry Computer simulation Machine learning Artificial intelligence Computational Design Of Materials Machine Learning Artificial Intelligence |
| ISBN | 3-031-78736-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Part 1. Introduction -- Introduction to Materials Informatics -- Introduction to Cheminformatics for Predictive Modeling -- Introduction to machine learning for predictive modeling of organic materials -- Quantitative Structure-Property Relationships (QSPR) for Materials Science -- Part 2. Methods and Tools -- Quantitative Structure-Property Relationships (QSPR) and Machine Learning (ML) Models for Materials Science -- Optimising Materials Properties with Minimal Data: Lessons from Vanadium Catalyst Modelling -- In silico QSPR studies based on CDFT and IT descriptors -- Applications of quantitative read-across structure-property relationship (q-RASPR) modeling in the field of materials science -- Machine Learning algorithms for applications in Materials Science I -- Machine Learning algorithms for applications in Materials Science II -- Structure-property modeling of quantum-theoretic properties of benzenoid hydrocarbons by means of connection-related graphical descriptors -- Machine learning tools and Web services for Materials Science modelling. |
| Record Nr. | UNINA-9910993940403321 |
| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Materials Informatics II : Software Tools and Databases / / edited by Kunal Roy, Arkaprava Banerjee
| Materials Informatics II : Software Tools and Databases / / edited by Kunal Roy, Arkaprava Banerjee |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (XVI, 297 p. 102 illus., 95 illus. in color.) |
| Disciplina | 542.85 |
| Collana | Challenges and Advances in Computational Chemistry and Physics |
| Soggetto topico |
Cheminformatics
Materials Chemistry Computer simulation Machine learning Artificial intelligence Computational Design Of Materials Machine Learning Artificial Intelligence |
| ISBN | 3-031-78728-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Part 1. Introduction -- Introduction to Machine Learning for Predictive Modeling I -- Introduction to Machine Learning for Materials Property Modeling -- Part 2. Cheminformatic and Machine Learning Models for Nanomaterials -- Machine learning models to study electronic properties of metal nanoclusters -- Applications of Machine Learning Predictive Modeling for Carbon Quantum Dots -- Assessing the toxicity of quantum dots in healthy and tumoral cells with ProtoNANO, a platform of nano-QSAR models to predict the toxicity of inorganic nanomaterials -- Applications of predictive modeling for fullerenes -- Computational Analysis of Perovskite Materials AlXY3 (X = Cu, Mn; Y = Br, Cl, F) invoking the DFT Method -- Applications of predictive modeling for dye-sensitized solar cells (DSSCs) -- Introduction to multiscale modeling for One Health approaches -- DIAGONAL Decision Support System (DSS) for Advanced Nanomaterial Risk Management powered by Enalos Cloud Platform -- Part 3. Software Tools and Databases for Applications in Materials Science -- Machine Learning algorithms, tools, and databases for applications in Materials Science -- Machine Learning-Driven Web Tools for Predicting Properties of Materials and Molecules. |
| Record Nr. | UNINA-9910987695603321 |
| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecularly Imprinted Polymers : Computational Studies to Advanced Applications / / edited by Zeynep Altintas
| Molecularly Imprinted Polymers : Computational Studies to Advanced Applications / / edited by Zeynep Altintas |
| Autore | Altintas Zeynep |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (413 pages) |
| Disciplina | 620.19 |
| Collana | Springer Series on Polymer and Composite Materials |
| Soggetto topico |
Materials
Bionics Polymers Biomaterials Chemistry Computer simulation Molecular probes Bioinspired Materials Biomedical Materials Computational Design Of Materials Biological Sensors and Probes |
| ISBN |
9783031673689
9783031673672 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | An introduction to molecular imprinting technology and molecularly imprinted polymers -- Affinity materials: from natural recognition elements to synthetic counterparts -- Comparison of MIP-based diagnostics technologies with antibody and aptamer-based diagnostics -- Synthesis techniques in molecular imprinting: from MIP monoliths to MIP films and nanoparticles -- Advanced computational approaches in molecular imprinting: Modelling templates and in-silico design of MIPs -- Electrochemically synthesized MIPs for sensor applications in healthcare diagnostics -- MIP-based thermal sensors: from medical diagnostics to food safety -- Recent trends in MIP-based virus sensors -- Contribution of smart nanomaterials into molecular imprinting: Functionalization of MIPs using carbon based nanomaterials, quantum dots, and nanoparticles -- Advanced imprinted materials for in-vitro and in-vivo applications -- Molecularly imprinted photocatalyts and their applications -- Molecularly imprinted catalysts and their applications -- MIPs as versatile tools in sample preparation -- Applications of MIPs in separation research: from solid phase extraction to selective membrane filters -- Existing and future commercial opportunities of molecularly imprinted polymers. |
| Record Nr. | UNINA-9910983366203321 |
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Altintas Zeynep
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Multiscale and Multiphysics Modelling for Advanced and Sustainable Materials : Euromech Colloquium 642 / / edited by Patrizia Trovalusci, Tomasz Sadowski, Adnan Ibrahimbegovic
| Multiscale and Multiphysics Modelling for Advanced and Sustainable Materials : Euromech Colloquium 642 / / edited by Patrizia Trovalusci, Tomasz Sadowski, Adnan Ibrahimbegovic |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (XIX, 429 p. 209 illus., 164 illus. in color.) |
| Disciplina | 531.7 |
| Collana | Advanced Structured Materials |
| Soggetto topico |
Continuum mechanics
Materials Chemistry Computer simulation Mathematical physics Continuum Mechanics Computational Design Of Materials Computational Physics and Simulations |
| ISBN | 3-031-84379-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Multiscale and multiphysical aspects of materials modelling, Mathematical and computational foundations of multiscale approaches -- Material classes: structural, multi functional, nano/microstructured materials bioinspired and soft materials; Material properties: elasticity, fracture, damage, plasticity, thermo mechanics, viscosity -- Non standard/non local continuous formulations for materials with microstructure; Multi scale design and optimization; Multi objective homogenization based topology optimization -- Atomistic/Molecular models and applications to continuum mechanics problems; Statistical and mesoscale materials modelling; Hierarchical/Concurrent multiscale modelling approaches -- Additive manufacturing, architected materials and metamaterials -- Data driven material design and artificial intelligence -- Synergistic coupling of experiments with multiscale modelling. |
| Record Nr. | UNINA-9911007463603321 |
| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Recent Advances in Nanomaterials : Select Proceedings of ICNOC 2022 / / edited by Zishan Husain Khan, Mark Jackson, Numan A. Salah
| Recent Advances in Nanomaterials : Select Proceedings of ICNOC 2022 / / edited by Zishan Husain Khan, Mark Jackson, Numan A. Salah |
| Autore | Khan Zishan Husain |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (581 pages) |
| Disciplina | 620.11 |
| Altri autori (Persone) |
JacksonMark
SalahNuman A |
| Collana | Springer Proceedings in Materials |
| Soggetto topico |
Materials
Chemistry Computer simulation Metals Electronics - Materials Computational Design Of Materials Metals and Alloys Electronic Materials |
| ISBN |
9789819948789
9819948789 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Investigation of Microstructural, Optical, and Electronic Properties of Hydrothermally Synthesized MoS2 Decorated SnO2 -- Synthesis of Titania Nanoparticles and Assessment of Anti-Oxidant Activity -- Structural and Magnetic Studies of Nanocrystalline La0.8-xAg0.2BixMnO3(x = 0, 0.05) -- Synthesis of Polymeric Nanoparticles Encapsulating Extract of Datura Stramonium and Study of its Various In-Vitro Activities -- Synthesis, Characterization, and Various In-Vitro Activities of Essential Oil Loaded Polymeric Nanoformulations -- Energy Gap Dependence on the Hydrostatic Pressure and Temperature of GaAs Quantum Wire -- Effect of Annealing Temperature on Microstructural, Optical and Magnetic Properties of Spinel-ZnFe2O4 Nano Particles -- Studies on Zinc Oxide Thin Film and Nanoparticles Synthesized by Chemical Bath Deposition -- Down Conversion Fluorescence Study of Non-Metal co-Doped Carbon Dots -- Green Synthesis of Carbon Dot (CDS) and Sensing of Metal Ion. |
| Record Nr. | UNINA-9910765476703321 |
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Khan Zishan Husain
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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