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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 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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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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Computational Concepts in Simulation of Welding Processes / / by Reza Beygi, Eduardo Marques, Lucas F.M. da Silva
| Computational Concepts in Simulation of Welding Processes / / by Reza Beygi, Eduardo Marques, Lucas F.M. da Silva |
| Autore | Silva Lucas Filipe Martins da <1973-> |
| Edizione | [1st ed. 2022.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022 |
| Descrizione fisica | 1 online resource (97 pages) |
| Disciplina | 671.520285 |
| Collana | SpringerBriefs in Computational Mechanics |
| Soggetto topico |
Metals
Materials science - Data processing Metals and Alloys Computational Materials Science |
| ISBN | 3-030-97910-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Classification of welding processes -- Heat sources in welding processes -- Thermal analysis in welding -- Microstructure evolution in welding -- Mechanical analysis in welding -- Coupled thermo-mechanical analysis -- Modelling of distortion -- Modelling of residual stresses -- Data analysis in welding -- Optimization of welding. |
| Record Nr. | UNINA-9910556880903321 |
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Silva Lucas Filipe Martins da <1973->
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Design of Battery Materials / / edited by Dorian A. H. Hanaor
| Computational Design of Battery Materials / / edited by Dorian A. H. Hanaor |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (589 pages) |
| Disciplina | 621.312424 |
| Collana | Topics in Applied Physics |
| Soggetto topico |
Materials
Catalysis Force and energy Materials science - Data processing Electric batteries Machine learning Condensed matter Chemistry, Physical and theoretical Materials for Energy and Catalysis Computational Materials Science Batteries Machine Learning Two-dimensional Materials Theoretical Chemistry |
| ISBN |
9783031473036
9783031473029 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Battery materials: Bringing it all together for tomorrow’s energy storage needs -- Atomistic Simulations of Battery Materials and Processes -- Ab Initio Interfacial Electrochemistry Applied to Understanding, Tuning and Designing Battery Chemistry -- Electrolyte-Electrode Interfaces: A Review of Computer Simulations -- Many-particle Na-ion dynamics in NaMPO4 olivine phosphates (M=Mn, Fe) -- Crystal Structure Prediction for Battery Materials -- Nanoscale Modelling of Substitutional Disorder in Battery Materials -- Machine learning methods for the design of battery manufacturing processes -- Machine learning methods for the design of battery manufacturing processes -- Applications of Ab Initio Molecular Dynamics for Modeling Batteries -- Forming a Chemically-Guided Basis for Cathode Materials with Reduced Biological Impact using Combined Density Functional Theory and Thermodynamics Modeling -- Oxygen Redox in Battery Cathodes: A Brief Overview -- Theoretical Investigation of Layered Anode Materials -- Design of Improved Cathode Materials by Intermixing Transition Metals in Sodium-Iron Sulphate and Sodium Manganate for Sodium-Ion Batteries -- Sodium Intercalation into Graphite and Graphene Complexes towards Advanced Sodium-Ion Battery Anode Materials -- Combining molecular simulations with modern experiments to design ionic liquid-based battery electrolytes -- Design of battery materials via defects and doping -- Role of Adsorption Energy in the Design of Battery Materials: A DFT Perspective. |
| Record Nr. | UNINA-9910872195703321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Modelling in Industry 4.0 : A Sustainable Resource Management Perspective / / edited by Irfan Ali, Prasenjit Chatterjee, Ali Akbar Shaikh, Neha Gupta, Ali AlArjani
| Computational Modelling in Industry 4.0 : A Sustainable Resource Management Perspective / / edited by Irfan Ali, Prasenjit Chatterjee, Ali Akbar Shaikh, Neha Gupta, Ali AlArjani |
| Edizione | [1st ed. 2022.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 |
| Descrizione fisica | 1 online resource (374 pages) |
| Disciplina | 658.4038028563 |
| Collana | Engineering Series |
| Soggetto topico |
Industrial engineering
Production engineering Materials science - Data processing Industrial and Production Engineering Process Engineering Computational Materials Science |
| ISBN |
981-16-7722-0
981-16-7723-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Fundamental Aspects of Computational Methods in Industry 4.0 -- A Note on the Impact of sustainable industrial value creation under Industry 4.0 -- New Challenges of Industry 4.0 in sustainable manufacturing management -- Multicriteria Decision Making Approach in Sustainable MSW Management Systems -- Sustainable Decision-Making in Material selection in the Construction Industry under Industry 4.0. |
| Record Nr. | UNINA-9910743234503321 |
| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Thermo-kinetics of Rigid Polyurethane Foams : Theory and Applications / / by Arnold A. Lubguban, Arnold C. Alguno, Roberto M. Malaluan, Gerard G. Dumancas
| Computational Thermo-kinetics of Rigid Polyurethane Foams : Theory and Applications / / by Arnold A. Lubguban, Arnold C. Alguno, Roberto M. Malaluan, Gerard G. Dumancas |
| Autore | Lubguban Arnold A |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (165 pages) |
| Disciplina | 530.10285 |
| Altri autori (Persone) |
AlgunoArnold C
MalaluanRoberto M DumancasGerard G |
| Collana | SpringerBriefs in Applied Sciences and Technology |
| Soggetto topico |
Mathematical physics
Computer simulation Materials science - Data processing Artificial intelligence Quantum computers Computational Physics and Simulations Computational Materials Science Artificial Intelligence Quantum Computing |
| ISBN |
9789819620777
9819620775 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | -- Foundations of Computational Thermokinetics in RPUF. -- Modeling Techniques. -- Key Factors in Computational Modeling of RPUF. -- Implications and Future Outcomes. |
| Record Nr. | UNINA-9910983089403321 |
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Lubguban Arnold A
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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