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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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Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map / / by Takuro Tsutsumi
| Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map / / by Takuro Tsutsumi |
| Autore | Tsutsumi Takuro |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (123 pages) |
| Disciplina | 541.394 |
| Collana | Springer Theses, Recognizing Outstanding Ph.D. Research |
| Soggetto topico |
Reaction mechanisms (Chemistry)
Chemistry, Physical and theoretical Quantum theory Materials science - Data processing Electronic structure Quantum chemistry - Computer programs Reaction Mechanisms Theoretical Chemistry Excited States Electronic Structure Calculations |
| ISBN | 981-9973-21-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | General Introduction -- Analysis of On-the-fly Trajectory based on Reaction Route Network -- 3. Visualization of Unique Reaction Route Map by Dimensionality Reduction Method -- 4. Projection of Dynamical Reaction Route onto Reduced-dimensionality Reaction Space -- 5. Theoretical Study of Excited-state Branching Reaction Mechanisms of α-methyl-cis-stilbene -- 6. Visualization of Multi-state Potential Energy Landscape: A Case Study on Excited-state Branching Reaction of Stilbene -- 7. General Conclusion. . |
| Record Nr. | UNINA-9910760297503321 |
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Tsutsumi Takuro
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Ab initio Quantum Monte Carlo Tutorial : Going beyond DFT / / by Ryo Maezono
| Ab initio Quantum Monte Carlo Tutorial : Going beyond DFT / / by Ryo Maezono |
| Autore | Maezono Ryo |
| Edizione | [1st ed. 2026.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2026 |
| Descrizione fisica | 1 online resource (486 pages) |
| Disciplina | 620.100285 |
| Collana | Chemistry and Materials Science Series |
| Soggetto topico |
Materials science - Data processing
Chemistry - Data processing Quantum chemistry Materials Chemistry Computer simulation Computational Materials Science Computational Chemistry Quantum Chemistry Computational Design Of Materials |
| ISBN | 981-9541-34-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Introduction -- 2. Running a calculation first -- 3. Diffusion Monte Carlo method -- 4. Variational optimization of many-body wavefunctions -- 5. Generating trial nodes with a DFT package -- 6. Review of procedures and molecular system calculations -- 7. Theory of diffusion Monte Carlo method -- 8. Further topics on underlying theory -- 9. Practical topics -- 10. Essence of many-body electronic correlation theory -- 11. Appendix A: Terminal Setting (For Macintosh) -- 12. Appendix B: Terminal Environment Setup (Windows Version) -- 13. Appendix C: Derivation of the diffusion equation from random walk -- 14. Appendix D: Supplementary remarks on mathematical topics -- 15. Appendix E: Supplementary notes on electronic structure theory.-16. Appendix F: Notes on density functional theory -- 17. Appendix G: Tools used in many-body perturbation theory -- 18. Appendix H: Overview of many-body perturbation theory.-Index. |
| Record Nr. | UNINA-9911061733803321 |
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Maezono Ryo
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2026 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Achievements and Solutions in Materials Science and Engineering Data Processing
| Achievements and Solutions in Materials Science and Engineering Data Processing |
| Autore | Triwiyanto Triwiyanto |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Bielefeld : , : Trans Tech Publications, Limited, , 2023 |
| Descrizione fisica | 1 online resource (150 pages) |
| Altri autori (Persone) |
SuriyanKannadhasan
SuwarnoSuwarno KoutsonasSpiridon (Spiros) MinafòGiovanni |
| Soggetto topico | Materials science - Data processing |
| ISBN |
9783036412382
3036412387 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910984624203321 |
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Triwiyanto Triwiyanto
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| Bielefeld : , : Trans Tech Publications, Limited, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advanced and Novel Technologies — Interdisciplinary Collaboration in Materials Science : Selected Papers from the International Conference in Zaporizhzhia, Ukraine / / edited by Mykyta Aikin, Olexandr Smolyakov, Vasyl Girzhon, Daria Tkach, Sergey Belikov, Gulmira Sharifovna Yar-Mukhamedova, Vadym Shalomeev, Oleksiy Narivskyi
| Advanced and Novel Technologies — Interdisciplinary Collaboration in Materials Science : Selected Papers from the International Conference in Zaporizhzhia, Ukraine / / edited by Mykyta Aikin, Olexandr Smolyakov, Vasyl Girzhon, Daria Tkach, Sergey Belikov, Gulmira Sharifovna Yar-Mukhamedova, Vadym Shalomeev, Oleksiy Narivskyi |
| Autore | Aikin Mykyta |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (493 pages) |
| Disciplina | 620.11 |
| Collana | Advances in Science, Technology & Innovation, IEREK Interdisciplinary Series for Sustainable Development |
| Soggetto topico |
Materials science
Materials science - Data processing Ceramic materials Materials Science Computational Materials Science Ceramics |
| ISBN | 3-032-00373-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1: Metals and Alloys -- Chapter 2: Ceramics and Glass -- Chapter 3: Composite Materials -- Chapter 4: Nanomaterials -- Chapter 5: Films and Coatings. |
| Record Nr. | UNINA-9911049206403321 |
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Aikin Mykyta
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advanced Materials for Sustainable Energy and Engineering : Selected Proceedings of the 2023 International Conference on Advanced Materials for Sustainable Energy and Engineering (ICAMSEE) / / edited by El Mehdi Elkhattabi, Mourad Boutahir, Konstantinos Termentzidis, Kohji Nakamura, Abdelhai Rahmani
| Advanced Materials for Sustainable Energy and Engineering : Selected Proceedings of the 2023 International Conference on Advanced Materials for Sustainable Energy and Engineering (ICAMSEE) / / edited by El Mehdi Elkhattabi, Mourad Boutahir, Konstantinos Termentzidis, Kohji Nakamura, Abdelhai Rahmani |
| Autore | Elkhattabi El Mehdi |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (554 pages) |
| Disciplina | 620.1 |
| Altri autori (Persone) |
BoutahirMourad
TermentzidisKonstantinos NakamuraKohji RahmaniAbdelhai |
| Collana | Springer Proceedings in Energy |
| Soggetto topico |
Materials
Catalysis Force and energy Photovoltaic power generation Sustainability Nanotechnology Materials science - Data processing Materials for Energy and Catalysis Photovoltaics Computational Materials Science |
| ISBN |
9783031570223
9783031570216 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Contents -- Ensemble Learning Method for Forecasting HVAC System Demand -- 1 Introduction -- 2 Literature Review -- 3 Methodology -- 3.1 Ensemble Learning Methods [2] -- 3.2 Case Study and Data Set Information -- 4 Results and Discussion -- 5 Conclusion -- References -- RBDO Approach for Site-to-Wind Turbine Generator Pairing -- 1 Introduction -- 2 Literature Review -- 3 Methodology Review -- 3.1 RBDO Approach -- 4 Problem Formulation -- 4.1 Wind Turbine Performance -- 4.2 Cost Function of the Wind Power Generation -- 5 Conclusion and Future Work -- References -- Investigation Performance of Shell-and-Tube Heat Exchangers in an Energy Storage System: Thermo-Mechanic Load -- 1 Introduction -- 2 Method and Material -- 3 Result and Discussion -- 4 Conclusion -- References -- Numerical Thermal Analysis of Shell-and-Tube Thermal Energy Storage Under the Constraint of High Cycle Temperatures -- 1 Introduction -- 2 Numerical Model -- 3 Result and Discussion |
| Record Nr. | UNINA-9910869159703321 |
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Elkhattabi El Mehdi
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advanced Materials Modelling for Mechanical, Medical and Biological Applications / / edited by Holm Altenbach, Victor A. Eremeyev, Alexander Galybin, Andrey Vasiliev
| Advanced Materials Modelling for Mechanical, Medical and Biological Applications / / edited by Holm Altenbach, Victor A. Eremeyev, Alexander Galybin, Andrey Vasiliev |
| Edizione | [1st ed. 2022.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022 |
| Descrizione fisica | 1 online resource (475 pages) |
| Disciplina | 620.11 |
| Collana | Advanced Structured Materials |
| Soggetto topico |
Materials science - Data processing
Biomedical engineering Computational Materials Science Biomedical Engineering and Bioengineering |
| ISBN | 3-030-81705-9 |
| Classificazione | VUT |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Estimate of Elastic Properties of Biological Tissues Using a Finite Element Methodology -- 2. An Efficient Method for Describing Plane Strain Bending of Viscoplastic Sheets at Large Strains -- 3. Using a Radio Interferometer for Measurement of the Dynamic Poisson's ratio of Wood -- 4. An Application of Thermal Analogy in Active Control Problems -- 5. Pneumo-dynamic Experimental Setup for Studying the Behavior of Structural Materials at Strain Rates of the Order of 100 1/s. |
| Record Nr. | UNINA-9910523751703321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Advances in Corrosion Modelling / / edited by Reza Javaherdashti
| Advances in Corrosion Modelling / / edited by Reza Javaherdashti |
| Autore | Javaherdashti Reza |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (239 pages) |
| Disciplina | 620.16 |
| Collana | Engineering Materials |
| Soggetto topico |
Metals
Corrosion and anti-corrosives Materials science - Data processing Materials Catalysis Force and energy Artificial intelligence Metals and Alloys Corrosion Computational Materials Science Materials for Energy and Catalysis Artificial Intelligence |
| ISBN |
9783031603587
9783031603570 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1 Introduction -- 2 Basics of corrosion -- 3 Simulation of Cathodic Protection of Buried Steel Pipeline under coating disbondments -- 4 Numerical Modelling of CP Systems for Marine Offshore Structures -- 5 Advances in Use of Internal Corrosion Predictive Modelling on Buried Oil & Gas Pipelines. |
| Record Nr. | UNINA-9910878045003321 |
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Javaherdashti Reza
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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An Algebraic Approach to the Many-Electron Problem / / by Jaroslav Zamastil, Tereza Uhlířová
| An Algebraic Approach to the Many-Electron Problem / / by Jaroslav Zamastil, Tereza Uhlířová |
| Autore | Zamastil Jaroslav |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (VIII, 71 p.) |
| Disciplina | 530.12 |
| Collana | SpringerBriefs in Physics |
| Soggetto topico |
Quantum theory
Quantum electrodynamics Mathematical physics Materials science - Data processing Electronic structure Quantum chemistry - Computer programs Solid state physics Quantum Physics Quantum Electrodynamics, Relativistic and Many-body Calculations Mathematical Methods in Physics Electronic Structure Calculations Electronic Devices |
| ISBN | 3-031-87825-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1: Quantized electron field -- Chapter 2: Hartree-Fock approximation -- Chapter 3: Coupled cluster method -- Chapter 4: Further developments. |
| Record Nr. | UNINA-9911002548303321 |
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Zamastil Jaroslav
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Artificial Intelligence and Emerging Materials for the Transition Toward Green and Smart Technologies / / edited by Mourad Boutahir, El Mehdi Elkhattabi, Mohammed Zouini, Abhishek Upadhyay, Harshini Gadam, Aryender Tyagi
| Artificial Intelligence and Emerging Materials for the Transition Toward Green and Smart Technologies / / edited by Mourad Boutahir, El Mehdi Elkhattabi, Mohammed Zouini, Abhishek Upadhyay, Harshini Gadam, Aryender Tyagi |
| Autore | Boutahir Mourad |
| Edizione | [1st ed. 2026.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2026 |
| Descrizione fisica | 1 online resource (250 pages) |
| Disciplina | 620.100285 |
| Altri autori (Persone) | Boutahir |
| Collana | Engineering Materials |
| Soggetto topico |
Materials science - Data processing
Artificial intelligence Sustainable architecture Thermodynamics Heat engineering Heat - Transmission Mass transfer Sustainability Computational Materials Science Artificial Intelligence Sustainable Architecture/Green Buildings Engineering Thermodynamics, Heat and Mass Transfer |
| ISBN | 3-032-15481-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Analysis of natural convection using the lattice Boltzmann method (LBM) -- Evaluation of Phase-Change Liquid Nitrogen Immersion Cooling Performance for High-Power Electronics -- Heat transfer optimization in sinusoidally heated cavity using the lattice Boltzmann method -- Intelligent management of a solar-hydrogen micro-grid: Simulation and energy optimization -- Metapiles as a countermeasure of ground vibration -- Modeling railway system using 3D finite element method -- Influence of Hematocrit on Electroosmotic Pulsatile Blood Flow of Casson Nanofluid in a Stenosed Arterial Segment -- Adsorption Kinetics, Isotherm Models, and Thermodynamics: A Brief Review -- Optimizing Mechanical Resilience in 3D-Printed Poly-mers: Exploring Raster Orientation Effects on Fracture Dynamics -- Analysis of the impact of solar irradiation and tilt an-gle on photovoltaic module performance. |
| Record Nr. | UNINA-9911064743103321 |
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Boutahir Mourad
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2026 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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