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Artificial intelligence for materials science / / Yuan Cheng, Tian Wang, Gang Zhang, editors
| Artificial intelligence for materials science / / Yuan Cheng, Tian Wang, Gang Zhang, editors |
| Pubbl/distr/stampa | Cham, Switzerland : , : Springer, , [2021] |
| Descrizione fisica | 1 online resource (231 pages) |
| Disciplina | 620.110285 |
| Collana | Springer Series in Materials Science |
| Soggetto topico |
Materials science - Data processing
Machine learning |
| ISBN | 3-030-68310-9 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Intro -- Preface -- Contents -- Brief Introduction of the Machine Learning Method -- 1 Introduction -- 2 Notation -- 3 Support Vector Machine -- 4 Clustering -- 4.1 Expectation-Maximization Algorithm -- 4.2 EM Related to K-Means -- 5 Regression -- 5.1 Linear Regression -- 5.2 Polynomial Regression -- 5.3 Ridge Regression and LASSO Regression -- 6 Decision Tree and Ensemble Learning -- 7 Neural Network -- 8 Data Set -- 9 Conclusion -- References -- Machine Learning for High-Entropy Alloys -- 1 Overview of High-Entropy Alloys -- 1.1 Fundamentals of High-Entropy Alloys -- 1.1.1 High-Entropy Effect -- 1.1.2 Sluggish Diffusion Effect -- 1.1.3 Severe Lattice Distortion Effect -- 1.1.4 Cocktail Effect -- 1.2 Preparation Methods of High-Entropy Alloys -- 1.2.1 Arc Melting -- 1.2.2 Mechanical Alloying -- 1.2.3 Sputter Deposition -- 1.3 Excellent Properties of High-Entropy Alloys -- 1.3.1 Hardness -- 1.3.2 Strength and Ductility Synergy -- 1.3.3 High-Temperature Properties -- 2 Computational Modelling and Machine Learning Approaches for High-Entropy Alloys -- 2.1 Conventional Computational Methods for HEA Design -- 2.1.1 DFT Calculation -- 2.1.2 MD Simulation -- 2.1.3 CALPHAD Modelling -- 2.2 Machine Learning Predictions of Phase Formations -- 2.2.1 Single-/Multi-Phase Solid Solution -- 2.2.2 Solid-Solution, Intermetallic, and Amorphous Phases -- 2.2.3 Precipitation -- 2.3 Machine Learning Predictions of Mechanical Properties -- 2.3.1 Hardness -- 2.3.2 Young's Modulus -- 2.3.3 Elastic Constants -- 3 Summary -- References -- Two-Way TrumpetNets and TubeNets for Identification of Material Parameters -- 1 Introduction -- 2 Problem Setting and Solving Strategy -- 2.1 Production of Composites -- 2.2 Strategy for Solving Inverse Problems -- 2.2.1 Measurement Strategy -- 2.2.2 Sensitivity Analysis -- 2.2.3 Inverse Analysis Using Two-Way NN Models.
3 Two-Way TrumpetNets and TubeNets -- 3.1 Setting Up Forward or Inverse Problem -- 3.2 Direct-Weight-Inversion (DWI) Approach -- 3.2.1 DWI Formulae for TrumpetNets -- 3.2.2 DWI Formulae for TubeNets -- 4 Identification of Material Parameters for Composites -- 4.1 Setup of the Forward Problem -- 4.2 Sensitivity Analysis -- 4.3 Case 1: Training Inverse TrumpetNet Using Datasets Generated by FEM Model -- 4.4 Case 2: Training Inverse TrumpetNet Using Datasets Generated by the Trained Forward TrumpetNet -- 4.5 Case 3: Inverse TrumpetNet Using DWI Approach Without Trained -- 4.6 Inverse TubeNet Using DWI Approach -- 4.6.1 TubeNets with PCA-Treated Training Samples -- 4.6.2 Case 4: Inverse TubeNet with 4-4-4-4 Neurons -- 4.6.3 Case 5: Inverse TubeNet with 8-8-8-8 Neurons -- 5 Conclusions -- References -- Machine Learning Interatomic Force Fields for Carbon Allotropic Materials -- 1 Introduction -- 2 Traditional Force Fields -- 3 Machine Learning Force Field -- 4 Procedure to Develop ML-Based Force Field -- 4.1 Reference Database -- 4.2 Structural Fingerprints -- 4.3 Sampling and Clustering -- 4.4 Machine Learning -- 4.4.1 Kernel Ridge Regression -- 4.4.2 Linear Model -- 4.4.3 Neural Network Model -- 5 Applications of ML Force Fields for Carbon Allotropes -- 5.1 ML Force Field for Graphene -- 5.2 ML Force Field for Diamond -- 5.3 ML Force Field for Amorphous Carbon -- 6 Future Directions and Perspective -- References -- Genetic Algorithms -- 1 Artificial Bee Colony Algorithms -- 1.1 Main Steps of the Artificial Bee Colony Algorithm -- 1.2 Applications of the Artificial Bee Colony in Functional Materials -- 1.3 Current Status of Research on Artificial Bee Colony Algorithms -- 2 Particle Swarm Optimization Algorithms -- 2.1 Applications of the Particle Swarm Optimization in Multifunctional Materials -- 2.2 Current State of the Particle Swarm Optimization. 3 Differential Evolution Algorithms -- 3.1 Brief Introduction of the Differential Evolution Algorithm -- 3.1.1 Mutation -- 3.1.2 Crossover -- 3.1.3 Selection -- 3.1.4 Other Variants of DE -- 3.2 Applications of the Differential Evolution Algorithm -- 4 Conclusions -- References -- Accelerated Discovery of Thermoelectric Materials Using Machine Learning -- 1 Introduction -- 2 Methodology -- 3 Ingredients for Statistical Methods -- 4 High-Throughput Screening and Machine Learning Prediction Models for Thermoelectrics -- 5 Connection Between Electronic and Thermal Transport -- 6 Towards Universal Models: Algorithm Development -- 7 Conclusions and Future Perspective -- References -- Thermal Nanostructure Design by Materials Informatics -- 1 Introduction -- 2 MI Algorithm -- 2.1 Bayesian Optimization -- 2.2 Monte Carlo Tree Search -- 2.3 Shotgun Transfer Learning -- 3 MI-Enabled Thermal Conduction Modulation -- 3.1 Optimal Nanostructure Design -- 3.2 Experimental Realization of Optimal Nanostructure -- 3.3 Thermoelectric Nanostructures Design -- 3.4 Disordered Structural Parameters Exploring in Aperiodic Superlattices -- 4 MI-Enabled Thermal Emission Modulation -- 4.1 Thermal Nanostructure Designs for Radiative Cooling -- 4.2 Thermal Nanostructures Design for Ultranarrow Thermal Emission -- 4.3 Thermal Nanostructure Designs for Thermophotovoltaic System -- 4.4 Thermal Nanostructure Designs for Thermal Camouflage -- 5 Summary and Perspectives -- References -- Machine Learning Accelerated Insights of Perovskite Materials -- 1 Introduction -- 2 Learning with Perovskite Databases -- 3 Materials Representations -- 3.1 Descriptors for Perovskites in Photovoltaic Applications -- 3.2 Feature Engineering -- 4 Machine Learning in Perovskite-Based Material Discovery and Study -- 4.1 Stability -- 4.2 Photovoltaic Property -- 5 Conclusion and Prospects -- References. Index. |
| Record Nr. | UNINA-9910484237103321 |
| Cham, Switzerland : , : Springer, , [2021] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational and experimental research in materials and renewable energy
| Computational and experimental research in materials and renewable energy |
| Pubbl/distr/stampa | Jember, Indonesia : , : Physics Department, Faculty of Mathematics and Natural Sciences University of Jember, , [2018]- |
| Descrizione fisica | 1 online resource |
| Soggetto topico |
Materials science - Data processing
Materials science - Computer simulation Materials science - Research Renewable energy sources - Data processing Renewable energy sources - Computer simulation Renewable energy sources - Research |
| ISSN | 2747-173X |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | CERiMRE |
| Record Nr. | UNINA-9910559693503321 |
| Jember, Indonesia : , : Physics Department, Faculty of Mathematics and Natural Sciences University of Jember, , [2018]- | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computational and experimental research in materials and renewable energy
| Computational and experimental research in materials and renewable energy |
| Pubbl/distr/stampa | Jember, Indonesia : , : Physics Department, Faculty of Mathematics and Natural Sciences University of Jember, , [2018]- |
| Descrizione fisica | 1 online resource |
| Soggetto topico |
Materials science - Data processing
Materials science - Computer simulation Materials science - Research Renewable energy sources - Data processing Renewable energy sources - Computer simulation Renewable energy sources - Research |
| ISSN | 2747-173X |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | CERiMRE |
| Record Nr. | UNISA-996467668603316 |
| Jember, Indonesia : , : Physics Department, Faculty of Mathematics and Natural Sciences University of Jember, , [2018]- | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Computational mechanics materials and engineering applications : selected, peer reviewed papers from the 2011 International workshop on Computational Mechanics, Materials and Engineering Applications (CMMEA 2011), July 23-24, 2011, Kunming, China / / edited by Jianrong Yang and Min Yu
| Computational mechanics materials and engineering applications : selected, peer reviewed papers from the 2011 International workshop on Computational Mechanics, Materials and Engineering Applications (CMMEA 2011), July 23-24, 2011, Kunming, China / / edited by Jianrong Yang and Min Yu |
| Pubbl/distr/stampa | Zurich, Switzerland : , : Trans Tech Publications, , 2012 |
| Descrizione fisica | 1 online resource (331 p.) |
| Disciplina | 620.10285 |
| Altri autori (Persone) |
YangJianrong
YuMin |
| Collana | Applied Mechanics and Materials |
| Soggetto topico |
Mechanics, Applied - Data processing
Mechanics, Applied - Technological innovations Engineering - Data processing Materials science - Technological innovations Materials science - Data processing Materials - Technological innovations |
| Soggetto genere / forma | Electronic books. |
| ISBN | 3-03813-727-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Computational Mechanics, Materials and Engineering Applications; Preface, Sponsors and Organizers; Table of Contents; Chapter 1: Building Materials; Using of Furfural to Modify the Ordinary Portland Cement; The Use of Stress Reduces in suddenly Changed Section of Rounded Shafts; Influence of Compressive Strength of Self-Compacting Concrete on Shear Behavior of Prestressed RC Beams; Strengthening of Concrete Beams Having Shear Zone Openings Using Orthotropic CFRP Modeling; Secondary Reinforcement in Concrete Corbel
Strength Properties of Recycled Aggregate Concrete Mixed with Polypropylene FiberStudy on the Behaviors of CFRP Confining Concrete Specimens Exposed to Fire, Acid and Alkaline Environments; Mechanical Properties of Concrete Added with Chicken Rachis as Reinforcement; Chapter 2: Computational Mechanics and Engineering Applications; Chongqing Bridge and its Combination Bridge; The Sustainable Indoor Environment Research and Design of Earth Buildings for Rural People; Concrete Bridge Durability Design and Maintenance Structural Analysis of the First Iron Bridge in the World Using the Finite Element MethodDeflection Analysis of Sleeve Jointed Purlin Systems with Non-Linear Rotational Stiffness; Application of Genetic Programming for Estimation of Soil Compaction Parameters; Experimental Study on the Effect of Froude Number on Temporal Variation of Scour around a T Shaped Spur Dike in a 90 Degree Bend; Comparing Steel Plate Shear Wall Behavior with Simple and Corrugated Plates; Safety Evaluation of Pier under Impact of Bridge Girder Erection Machine Three Dimensional, Linear and Nonlinear Finite Element Modeling of FRP to Concrete Pull-Off TestComparative Analysis of Axially Loaded Composite Columns; Study on the Effect of Sewage Concentration on Treatment Efficiency of Artificial Wetland of Plateau Lake; Singular Perturbation Method for Solving Non-Linear Vibration of Stay Cable (I) - Theory Research; Singular Perturbation Method for Solving Non-Linear Vibration of Stay Cable (II) - Engineering Application; Double Non-Linear Mechanical Characteristics of Transmission Tower Structure Based on Model Amendment An Experimental Study on Material and Structural Properties of Structural Insulated Panels (SIPs)Study and Practice on the Performance of Soundproofing for Office Building Wall; Symplectic Solutions in Singularity Problems of Anisotropic Beams; The Finite Element Analysis on Mechanical Properties of the Meridians Stair Skeleton of Medical Exhibition Center in Taizhou City; Structural Defects of Existing RC Buildings in Eskisehir Province; Reliability Assessment of Fatigue Life of Hangers in Large-Span Suspension Bridges Maintenance Strategies of Main Cable for Large Span Suspension Bridges Considering Different Scales |
| Record Nr. | UNINA-9910465314503321 |
| Zurich, Switzerland : , : Trans Tech Publications, , 2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computational mechanics materials and engineering applications : selected, peer reviewed papers from the 2011 International workshop on Computational Mechanics, Materials and Engineering Applications (CMMEA 2011), July 23-24, 2011, Kunming, China / / edited by Jianrong Yang and Min Yu
| Computational mechanics materials and engineering applications : selected, peer reviewed papers from the 2011 International workshop on Computational Mechanics, Materials and Engineering Applications (CMMEA 2011), July 23-24, 2011, Kunming, China / / edited by Jianrong Yang and Min Yu |
| Pubbl/distr/stampa | Zurich, Switzerland : , : Trans Tech Publications, , 2012 |
| Descrizione fisica | 1 online resource (331 p.) |
| Disciplina | 620.10285 |
| Altri autori (Persone) |
YangJianrong
YuMin |
| Collana | Applied Mechanics and Materials |
| Soggetto topico |
Mechanics, Applied - Data processing
Mechanics, Applied - Technological innovations Engineering - Data processing Materials science - Technological innovations Materials science - Data processing Materials - Technological innovations |
| ISBN | 3-03813-727-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Computational Mechanics, Materials and Engineering Applications; Preface, Sponsors and Organizers; Table of Contents; Chapter 1: Building Materials; Using of Furfural to Modify the Ordinary Portland Cement; The Use of Stress Reduces in suddenly Changed Section of Rounded Shafts; Influence of Compressive Strength of Self-Compacting Concrete on Shear Behavior of Prestressed RC Beams; Strengthening of Concrete Beams Having Shear Zone Openings Using Orthotropic CFRP Modeling; Secondary Reinforcement in Concrete Corbel
Strength Properties of Recycled Aggregate Concrete Mixed with Polypropylene FiberStudy on the Behaviors of CFRP Confining Concrete Specimens Exposed to Fire, Acid and Alkaline Environments; Mechanical Properties of Concrete Added with Chicken Rachis as Reinforcement; Chapter 2: Computational Mechanics and Engineering Applications; Chongqing Bridge and its Combination Bridge; The Sustainable Indoor Environment Research and Design of Earth Buildings for Rural People; Concrete Bridge Durability Design and Maintenance Structural Analysis of the First Iron Bridge in the World Using the Finite Element MethodDeflection Analysis of Sleeve Jointed Purlin Systems with Non-Linear Rotational Stiffness; Application of Genetic Programming for Estimation of Soil Compaction Parameters; Experimental Study on the Effect of Froude Number on Temporal Variation of Scour around a T Shaped Spur Dike in a 90 Degree Bend; Comparing Steel Plate Shear Wall Behavior with Simple and Corrugated Plates; Safety Evaluation of Pier under Impact of Bridge Girder Erection Machine Three Dimensional, Linear and Nonlinear Finite Element Modeling of FRP to Concrete Pull-Off TestComparative Analysis of Axially Loaded Composite Columns; Study on the Effect of Sewage Concentration on Treatment Efficiency of Artificial Wetland of Plateau Lake; Singular Perturbation Method for Solving Non-Linear Vibration of Stay Cable (I) - Theory Research; Singular Perturbation Method for Solving Non-Linear Vibration of Stay Cable (II) - Engineering Application; Double Non-Linear Mechanical Characteristics of Transmission Tower Structure Based on Model Amendment An Experimental Study on Material and Structural Properties of Structural Insulated Panels (SIPs)Study and Practice on the Performance of Soundproofing for Office Building Wall; Symplectic Solutions in Singularity Problems of Anisotropic Beams; The Finite Element Analysis on Mechanical Properties of the Meridians Stair Skeleton of Medical Exhibition Center in Taizhou City; Structural Defects of Existing RC Buildings in Eskisehir Province; Reliability Assessment of Fatigue Life of Hangers in Large-Span Suspension Bridges Maintenance Strategies of Main Cable for Large Span Suspension Bridges Considering Different Scales |
| Record Nr. | UNINA-9910791909903321 |
| Zurich, Switzerland : , : Trans Tech Publications, , 2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computational mechanics materials and engineering applications : selected, peer reviewed papers from the 2011 International workshop on Computational Mechanics, Materials and Engineering Applications (CMMEA 2011), July 23-24, 2011, Kunming, China / / edited by Jianrong Yang and Min Yu
| Computational mechanics materials and engineering applications : selected, peer reviewed papers from the 2011 International workshop on Computational Mechanics, Materials and Engineering Applications (CMMEA 2011), July 23-24, 2011, Kunming, China / / edited by Jianrong Yang and Min Yu |
| Pubbl/distr/stampa | Zurich, Switzerland : , : Trans Tech Publications, , 2012 |
| Descrizione fisica | 1 online resource (331 p.) |
| Disciplina | 620.10285 |
| Altri autori (Persone) |
YangJianrong
YuMin |
| Collana | Applied Mechanics and Materials |
| Soggetto topico |
Mechanics, Applied - Data processing
Mechanics, Applied - Technological innovations Engineering - Data processing Materials science - Technological innovations Materials science - Data processing Materials - Technological innovations |
| ISBN | 3-03813-727-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Computational Mechanics, Materials and Engineering Applications; Preface, Sponsors and Organizers; Table of Contents; Chapter 1: Building Materials; Using of Furfural to Modify the Ordinary Portland Cement; The Use of Stress Reduces in suddenly Changed Section of Rounded Shafts; Influence of Compressive Strength of Self-Compacting Concrete on Shear Behavior of Prestressed RC Beams; Strengthening of Concrete Beams Having Shear Zone Openings Using Orthotropic CFRP Modeling; Secondary Reinforcement in Concrete Corbel
Strength Properties of Recycled Aggregate Concrete Mixed with Polypropylene FiberStudy on the Behaviors of CFRP Confining Concrete Specimens Exposed to Fire, Acid and Alkaline Environments; Mechanical Properties of Concrete Added with Chicken Rachis as Reinforcement; Chapter 2: Computational Mechanics and Engineering Applications; Chongqing Bridge and its Combination Bridge; The Sustainable Indoor Environment Research and Design of Earth Buildings for Rural People; Concrete Bridge Durability Design and Maintenance Structural Analysis of the First Iron Bridge in the World Using the Finite Element MethodDeflection Analysis of Sleeve Jointed Purlin Systems with Non-Linear Rotational Stiffness; Application of Genetic Programming for Estimation of Soil Compaction Parameters; Experimental Study on the Effect of Froude Number on Temporal Variation of Scour around a T Shaped Spur Dike in a 90 Degree Bend; Comparing Steel Plate Shear Wall Behavior with Simple and Corrugated Plates; Safety Evaluation of Pier under Impact of Bridge Girder Erection Machine Three Dimensional, Linear and Nonlinear Finite Element Modeling of FRP to Concrete Pull-Off TestComparative Analysis of Axially Loaded Composite Columns; Study on the Effect of Sewage Concentration on Treatment Efficiency of Artificial Wetland of Plateau Lake; Singular Perturbation Method for Solving Non-Linear Vibration of Stay Cable (I) - Theory Research; Singular Perturbation Method for Solving Non-Linear Vibration of Stay Cable (II) - Engineering Application; Double Non-Linear Mechanical Characteristics of Transmission Tower Structure Based on Model Amendment An Experimental Study on Material and Structural Properties of Structural Insulated Panels (SIPs)Study and Practice on the Performance of Soundproofing for Office Building Wall; Symplectic Solutions in Singularity Problems of Anisotropic Beams; The Finite Element Analysis on Mechanical Properties of the Meridians Stair Skeleton of Medical Exhibition Center in Taizhou City; Structural Defects of Existing RC Buildings in Eskisehir Province; Reliability Assessment of Fatigue Life of Hangers in Large-Span Suspension Bridges Maintenance Strategies of Main Cable for Large Span Suspension Bridges Considering Different Scales |
| Record Nr. | UNINA-9910820047203321 |
| Zurich, Switzerland : , : Trans Tech Publications, , 2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computational Simulation in Nanophotonics and Spectroscopy [[electronic resource] /] / by Mengtao Sun, Xijiao Mu
| Computational Simulation in Nanophotonics and Spectroscopy [[electronic resource] /] / by Mengtao Sun, Xijiao Mu |
| Autore | Sun Mengtao |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (130 pages) |
| Disciplina | 621.365 |
| Altri autori (Persone) | MuXijiao |
| Collana | Nanoscience and Nanotechnology |
| Soggetto topico |
Nanophotonics
Plasmonics Spectrum analysis Nanotechnology Materials science - Data processing Electronic structure Quantum chemistry - Computer programs Nonlinear Optics Optoelectronic devices Nanophotonics and Plasmonics Spectroscopy Computational Nanotechnology Electronic Structure Calculations Optoelectronic Devices |
| ISBN | 981-9947-32-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1 Introduction -- Chapter 2 Theoretical basis of computational simulation -- Chapter 3 Calculation and analysis of electron transition spectra -- Chapter 4 Vibration spectrum calculation and analysis -- Chapter 5 Calculation of nonlinear optical properties -- Chapter 6 Calculation and analysis of molecular chiral spectra -- Chapter 7 First principles calculation of optical properties of solids -- Chapter 8. Application of electronic structure methods in optical calculation and analysis. |
| Record Nr. | UNINA-9910746970503321 |
Sun Mengtao
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Density Functional Theory : Modeling, Mathematical Analysis, Computational Methods, and Applications / / edited by Eric Cancès, Gero Friesecke
| Density Functional Theory : Modeling, Mathematical Analysis, Computational Methods, and Applications / / edited by Eric Cancès, Gero Friesecke |
| Autore | Cancès Eric |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (595 pages) |
| Disciplina |
510
541.28 |
| Altri autori (Persone) | FrieseckeGero |
| Collana | Mathematics and Molecular Modeling |
| Soggetto topico |
Mathematics
Condensed matter Atoms Molecules Quantum chemistry Electronics - Materials Materials science - Data processing Condensed Matter Physics Atomic, Molecular and Chemical Physics Quantum Chemistry Electronic Materials Computational Materials Science Teoria del funcional de densitat |
| Soggetto genere / forma | Llibres electrònics |
| ISBN | 3-031-22340-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1. Review of approximations for the exchange-correlation energy in density-functional theory -- Chapter 2. On connecting density functional approximations to theory -- Chapter 3. Universal functionals in density functional theory -- Chapter 4. The strong-interaction limit of density functional theory -- Chapter 5. Moreau–Yosida regularization in DFT -- Chapter 6. Thermodynamic limits of electronic systems -- Chapter 7. Numerical methods for Kohn–Sham models: discretization, algorithms, and error analysis -- Chapter 8. Recent progress in evaluating the Kohn–Sham map -- Chapter 9. Augmented plane wave methods for full-potential calculations -- Chapter 10. Finite Element Methods for Density Functional Theory -- Chapter 11. Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations -- Chapter 12. Accurate approximations of density functional theory for large systems with applications to defects in crystalline solids -- Glossary -- Notation. |
| Record Nr. | UNINA-9910735774803321 |
|
Cancès Eric
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Electronic Band Structure Engineering and Ultrafast Dynamics of Dirac Semimetals [[electronic resource] /] / by Changhua Bao
| Electronic Band Structure Engineering and Ultrafast Dynamics of Dirac Semimetals [[electronic resource] /] / by Changhua Bao |
| Autore | Bao Changhua |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (91 pages) |
| Disciplina | 530.411 |
| Collana | Springer Theses, Recognizing Outstanding Ph.D. Research |
| Soggetto topico |
Condensed matter
Semiconductors Optics Optical materials Photonics Materials science - Data processing Electronic structure Quantum chemistry - Computer programs Condensed Matter Physics Light-Matter Interaction Optical Materials Ultrafast Photonics Electronic Structure Calculations |
| ISBN | 981-9953-25-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- Experimental Techniques -- Development of Novel Trarpes With Tunable Probe Photon Energy for 3D Quantum Materials -- Chiral Symmetry Breaking in Kekulé-ordered Graphene -- Coexistence of Flat Band and Kekulé Order. |
| Record Nr. | UNINA-9910767510203321 |
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Bao Changhua
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Hyperordered Structures in Materials [[electronic resource] ] : Disorder in Order and Order within Disorder / / edited by Koichi Hayashi
| Hyperordered Structures in Materials [[electronic resource] ] : Disorder in Order and Order within Disorder / / edited by Koichi Hayashi |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (458 pages) |
| Disciplina | 620.144 |
| Collana | The Materials Research Society Series |
| Soggetto topico |
Glass
Materials - Analysis Crystallography Materials science - Data processing Topological insulators Condensed matter Materials Characterization Technique Crystallography and Scattering Methods Computational Materials Science Topological Material Structure of Condensed Matter |
| ISBN | 981-9952-35-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | From point defects to defect complexes -- Topological order and hyperorder in oxide glasses and liquids -- Atomic-resolution holography -- X-ray and neutron pair distribution function analysis -- Angstrom-beam electron diffraction technique for amorphous materials -- Dynamics -- Property measurements of molten oxides at high temperature using containerless methods -- Density functional theory calculations for materials with complex structures -- Molecular dynamics -- Reverse Monte Carlo modeling of noncrystalline and crystalline materials -- Structural-order analysis based on applied mathematics -- Machine learning -- Dielectric Materials with Hyperordered Structures -- Hyperordered Structures in Microporous Frameworks in Zeolites -- Glasses with hyperordered structures -- Biological materials -- Battery and fuel cell materials with hyperordered structures -- Superconductors with hyperordered structures -- Ordered and disordered metal oxide for biomass conversion. |
| Record Nr. | UNINA-9910760294103321 |
| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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