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The 7-volume set LNCS 14832 – 14838 constitutes the proceedings of the 24th International Conference on Computational Science, ICCS 2024, which took place in Malaga, Spain, during July 2–4, 2024. The 155 full papers and 70 short papers included in these proceedings were carefully reviewed and selected from 430 submissions. They were organized in topical sections as follows: Part I: ICCS 2024 Main Track Full Papers; Part II: ICCS 2024 Main Track Full Papers; Part III: ICCS 2024 Main Track Short Papers; Advances in High-Performance Computational Earth Sciences: Numerical Methods, Frameworks and Applications; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Part IV: Biomedical and Bioinformatics Challenges for Computer Science; Computational Health; Part V: Computational Optimization, Modelling, and Simulation; Generative AI and Large Language Models (LLMs) in Advancing Computational Medicine; Machine Learning and Data Assimilation for Dynamical Systems; Multiscale Modelling and Simulation; Part VI: Network Models and Analysis: From Foundations to Artificial Intelligence; Numerical Algorithms and Computer Arithmetic for Computational Science; Quantum Computing; Part VII: Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks, and Artificial Intelligence; Solving Problems with Uncertainties; Teaching Computational Science

The 7-volume set LNCS 14832 – 14838 constitutes the proceedings of the 24th International Conference on Computational Science, ICCS 2024, which took place in Malaga, Spain, during July 2–4, 2024. The 155 full papers and 70 short papers included in these proceedings were carefully reviewed and selected from 430 submissions. They were organized in topical sections as follows: Part I: ICCS 2024 Main Track Full Papers; Part II: ICCS 2024 Main Track Full Papers; Part III: ICCS 2024 Main Track Short Papers; Advances in High-Performance Computational Earth Sciences: Numerical Methods, Frameworks and Applications; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Part IV: Biomedical and Bioinformatics Challenges for Computer Science; Computational Health; Part V: Computational Optimization, Modelling, and Simulation; Generative AI and Large Language Models (LLMs) in Advancing Computational Medicine; Machine Learning and Data Assimilation for Dynamical Systems; Multiscale Modelling and Simulation; Part VI: Network Models and Analysis: From Foundations to Artificial Intelligence; Numerical Algorithms and Computer Arithmetic for Computational Science; Quantum Computing; Part VII: Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks, and Artificial Intelligence; Solving Problems with Uncertainties; Teaching Computational Science

The 7-volume set LNCS 14832 – 14838 constitutes the proceedings of the 24th International Conference on Computational Science, ICCS 2024, which took place in Malaga, Spain, during July 2–4, 2024. The 155 full papers and 70 short papers included in these proceedings were carefully reviewed and selected from 430 submissions. They were organized in topical sections as follows: Part I: ICCS 2024 Main Track Full Papers; Part II: ICCS 2024 Main Track Full Papers; Part III: ICCS 2024 Main Track Short Papers; Advances in High-Performance Computational Earth Sciences: Numerical Methods, Frameworks and Applications; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Part IV: Biomedical and Bioinformatics Challenges for Computer Science; Computational Health; Part V: Computational Optimization, Modelling, and Simulation; Generative AI and Large Language Models (LLMs) in Advancing Computational Medicine; Machine Learning and Data Assimilation for Dynamical Systems; Multiscale Modelling and Simulation; Part VI: Network Models and Analysis: From Foundations to Artificial Intelligence; Numerical Algorithms and Computer Arithmetic for Computational Science; Quantum Computing; Part VII: Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks, and Artificial Intelligence; Solving Problems with Uncertainties; Teaching Computational Science

The 7-volume set LNCS 14832 – 14838 constitutes the proceedings of the 24th International Conference on Computational Science, ICCS 2024, which took place in Malaga, Spain, during July 2–4, 2024. The 155 full papers and 70 short papers included in these proceedings were carefully reviewed and selected from 430 submissions. They were organized in topical sections as follows: Part I: ICCS 2024 Main Track Full Papers; Part II: ICCS 2024 Main Track Full Papers; Part III: ICCS 2024 Main Track Short Papers; Advances in High-Performance Computational Earth Sciences: Numerical Methods, Frameworks and Applications; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Part IV: Biomedical and Bioinformatics Challenges for Computer Science; Computational Health; Part V: Computational Optimization, Modelling, and Simulation; Generative AI and Large Language Models (LLMs) in Advancing Computational Medicine; Machine Learning and Data Assimilation for Dynamical Systems; Multiscale Modelling and Simulation; Part VI: Network Models and Analysis: From Foundations to Artificial Intelligence; Numerical Algorithms and Computer Arithmetic for Computational Science; Quantum Computing; Part VII: Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks, and Artificial Intelligence; Solving Problems with Uncertainties; Teaching Computational Science

The 7-volume set LNCS 14832 – 14838 constitutes the proceedings of the 24th International Conference on Computational Science, ICCS 2024, which took place in Malaga, Spain, during July 2–4, 2024. The 155 full papers and 70 short papers included in these proceedings were carefully reviewed and selected from 430 submissions. They were organized in topical sections as follows: Part I: ICCS 2024 Main Track Full Papers; Part II: ICCS 2024 Main Track Full Papers; Part III: ICCS 2024 Main Track Short Papers; Advances in High-Performance Computational Earth Sciences: Numerical Methods, Frameworks and Applications; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Part IV: Biomedical and Bioinformatics Challenges for Computer Science; Computational Health; Part V: Computational Optimization, Modelling, and Simulation; Generative AI and Large Language Models (LLMs) in Advancing Computational Medicine; Machine Learning and Data Assimilation for Dynamical Systems; Multiscale Modelling and Simulation; Part VI: Network Models and Analysis: From Foundations to Artificial Intelligence; Numerical Algorithms and Computer Arithmetic for Computational Science; Quantum Computing; Part VII: Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks, and Artificial Intelligence; Solving Problems with Uncertainties; Teaching Computational Science

The 7-volume set LNCS 14832 – 14838 constitutes the proceedings of the 24th International Conference on Computational Science, ICCS 2024, which took place in Malaga, Spain, during July 2–4, 2024. The 155 full papers and 70 short papers included in these proceedings were carefully reviewed and selected from 430 submissions. They were organized in topical sections as follows: Part I: ICCS 2024 Main Track Full Papers; Part II: ICCS 2024 Main Track Full Papers; Part III: ICCS 2024 Main Track Short Papers; Advances in High-Performance Computational Earth Sciences: Numerical Methods, Frameworks and Applications; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Part IV: Biomedical and Bioinformatics Challenges for Computer Science; Computational Health; Part V: Computational Optimization, Modelling, and Simulation; Generative AI and Large Language Models (LLMs) in Advancing Computational Medicine; Machine Learning and Data Assimilation for Dynamical Systems; Multiscale Modelling and Simulation; Part VI: Network Models and Analysis: From Foundations to Artificial Intelligence; Numerical Algorithms and Computer Arithmetic for Computational Science; Quantum Computing; Part VII: Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks, and Artificial Intelligence; Solving Problems with Uncertainties; Teaching Computational Science

The 7-volume set LNCS 14832 – 14838 constitutes the proceedings of the 24th International Conference on Computational Science, ICCS 2024, which took place in Malaga, Spain, during July 2–4, 2024. The 155 full papers and 70 short papers included in these proceedings were carefully reviewed and selected from 430 submissions. They were organized in topical sections as follows: Part I: ICCS 2024 Main Track Full Papers; Part II: ICCS 2024 Main Track Full Papers; Part III: ICCS 2024 Main Track Short Papers; Advances in High-Performance Computational Earth Sciences: Numerical Methods, Frameworks and Applications; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Part IV: Biomedical and Bioinformatics Challenges for Computer Science; Computational Health; Part V: Computational Optimization, Modelling, and Simulation; Generative AI and Large Language Models (LLMs) in Advancing Computational Medicine; Machine Learning and Data Assimilation for Dynamical Systems; Multiscale Modelling and Simulation; Part VI: Network Models and Analysis: From Foundations to Artificial Intelligence; Numerical Algorithms and Computer Arithmetic for Computational Science; Quantum Computing; Part VII: Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks, and Artificial Intelligence; Solving Problems with Uncertainties; Teaching Computational Science

The five-volume set LNCS 14073-14077 constitutes the proceedings of the 23rd International Conference on Computational Science, ICCS 2023, held in Prague, Czech Republic, during July 3-5, 2023. The total of 188 full papers and 94 short papers presented in this book set were carefully reviewed and selected from 530 submissions. 54 full and 37 short papers were accepted to the main track; 134 full and 57 short papers were accepted to the workshops/thematic tracks. The theme for 2023,'Computation at the Cutting Edge of Science', highlights the role of Computational Science in assisting multidisciplinary research. This conference was a unique event focusing on recent developments in scalable scientific algorithms, advanced software tools; computational grids; advanced numerical methods; and novel application areas. These innovative novel models, algorithms, and tools drive new science through efficient application in physical systems, computational andsystems biology, environmental systems, finance, and others.

The five-volume set LNCS 14073-14077 constitutes the proceedings of the 23rd International Conference on Computational Science, ICCS 2023, held in Prague, Czech Republic, during July 3-5, 2023. The total of 188 full papers and 94 short papers presented in this book set were carefully reviewed and selected from 530 submissions. 54 full and 37 short papers were accepted to the main track; 134 full and 57 short papers were accepted to the workshops/thematic tracks. The theme for 2023,'Computation at the Cutting Edge of Science', highlights the role of Computational Science in assisting multidisciplinary research. This conference was a unique event focusing on recent developments in scalable scientific algorithms, advanced software tools; computational grids; advanced numerical methods; and novel application areas. These innovative novel models, algorithms, and tools drive new science through efficient application in physical systems, computational andsystems biology, environmental systems, finance, and others.

The five-volume set LNCS 14073-14077 constitutes the proceedings of the 23rd International Conference on Computational Science, ICCS 2023, held in Prague, Czech Republic, during July 3-5, 2023. The total of 188 full papers and 94 short papers presented in this book set were carefully reviewed and selected from 530 submissions. 54 full and 37 short papers were accepted to the main track; 134 full and 57 short papers were accepted to the workshops/thematic tracks. The theme for 2023,'Computation at the Cutting Edge of Science', highlights the role of Computational Science in assisting multidisciplinary research. This conference was a unique event focusing on recent developments in scalable scientific algorithms, advanced software tools; computational grids; advanced numerical methods; and novel application areas. These innovative novel models, algorithms, and tools drive new science through efficient application in physical systems, computational andsystems biology, environmental systems, finance, and others.

The five-volume set LNCS 14073-14077 constitutes the proceedings of the 23rd International Conference on Computational Science, ICCS 2023, held in Prague, Czech Republic, during July 3-5, 2023. The total of 188 full papers and 94 short papers presented in this book set were carefully reviewed and selected from 530 submissions. 54 full and 37 short papers were accepted to the main track; 134 full and 57 short papers were accepted to the workshops/thematic tracks. The theme for 2023,'Computation at the Cutting Edge of Science', highlights the role of Computational Science in assisting multidisciplinary research. This conference was a unique event focusing on recent developments in scalable scientific algorithms, advanced software tools; computational grids; advanced numerical methods; and novel application areas. These innovative novel models, algorithms, and tools drive new science through efficient application in physical systems, computational andsystems biology, environmental systems, finance, and others.

The five-volume set LNCS 14073-14077 constitutes the proceedings of the 23rd International Conference on Computational Science, ICCS 2023, held in Prague, Czech Republic, during July 3-5, 2023. The total of 188 full papers and 94 short papers presented in this book set were carefully reviewed and selected from 530 submissions. 54 full and 37 short papers were accepted to the main track; 134 full and 57 short papers were accepted to the workshops/thematic tracks. The theme for 2023,'Computation at the Cutting Edge of Science', highlights the role of Computational Science in assisting multidisciplinary research. This conference was a unique event focusing on recent developments in scalable scientific algorithms, advanced software tools; computational grids; advanced numerical methods; and novel application areas. These innovative novel models, algorithms, and tools drive new science through efficient application in physical systems, computational andsystems biology, environmental systems, finance, and others.

The four-volume set LNCS 13350, 13351, 13352, and 13353 constitutes the proceedings of the 22ndt International Conference on Computational Science, ICCS 2022, held in London, UK, in June 2022.• The total of 175 full papers and 78 short papers presented in this book set were carefully reviewed and selected from 474 submissions. 169 full and 36 short papers were accepted to the main track; 120 full and 42 short papers were accepted to the workshops/ thematic tracks. •The conference was held in a hybrid formatChapter “GPU Accelerated Modelling and Forecasting for Large Time Series” is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.

The four-volume set LNCS 13350, 13351, 13352, and 13353 constitutes the proceedings of the 22ndt International Conference on Computational Science, ICCS 2022, held in London, UK, in June 2022.• The total of 175 full papers and 78 short papers presented in this book set were carefully reviewed and selected from 474 submissions. 169 full and 36 short papers were accepted to the main track; 120 full and 42 short papers were accepted to the workshops/ thematic tracks. •The conference was held in a hybrid format

The six-volume set LNCS 12742, 12743, 12744, 12745, 12746, and 12747 constitutes the proceedings of the 21st International Conference on Computational Science, ICCS 2021, held in Krakow, Poland, in June 2021.•The total of 260 full papers and 57 short papers presented in this book set were carefully reviewed and selected from 635 submissions. 48 full and 14 short papers were accepted to the main track from 156 submissions; 212 full and 43 short papers were accepted to the workshops/ thematic tracks from 479 submissions. The papers were organized in topical sections named:Part I: ICCS Main Track Part II: Advances in High-Performance Computational Earth Sciences: Applications and Frameworks; Applications of Computational Methods in Artificial Intelligence and Machine Learning; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Biomedical and Bioinformatics Challenges for Computer Science Part III: Classifier Learning from Difficult Data; Computational Analysis of Complex Social Systems; Computational Collective Intelligence; Computational Health Part IV: Computational Methods for Emerging Problems in (dis-)Information Analysis; Computational Methods in Smart Agriculture; Computational Optimization, Modelling and Simulation; Computational Science in IoT and Smart Systems Part V: Computer Graphics, Image Processing and Artificial Intelligence; Data-Driven Computational Sciences; Machine Learning and Data Assimilation for Dynamical Systems; MeshFree Methods and Radial Basis Functions in Computational Sciences; Multiscale Modelling and Simulation Part VI: Quantum Computing Workshop; Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks and Machine Learning; Software Engineering for Computational Science; Solving Problems with Uncertainty; Teaching Computational Science; Uncertainty Quantification for Computational Models •The conference was held virtually.

The six-volume set LNCS 12742, 12743, 12744, 12745, 12746, and 12747 constitutes the proceedings of the 21st International Conference on Computational Science, ICCS 2021, held in Krakow, Poland, in June 2021.•The total of 260 full papers and 57 short papers presented in this book set were carefully reviewed and selected from 635 submissions. 48 full and 14 short papers were accepted to the main track from 156 submissions; 212 full and 43 short papers were accepted to the workshops/ thematic tracks from 479 submissions. The papers were organized in topical sections named:Part I: ICCS Main Track Part II: Advances in High-Performance Computational Earth Sciences: Applications and Frameworks; Applications of Computational Methods in Artificial Intelligence and Machine Learning; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Biomedical and Bioinformatics Challenges for Computer Science Part III: Classifier Learning from Difficult Data; Computational Analysis of Complex Social Systems; Computational Collective Intelligence; Computational Health Part IV: Computational Methods for Emerging Problems in (dis-)Information Analysis; Computational Methods in Smart Agriculture; Computational Optimization, Modelling and Simulation; Computational Science in IoT and Smart Systems Part V: Computer Graphics, Image Processing and Artificial Intelligence; Data-Driven Computational Sciences; Machine Learning and Data Assimilation for Dynamical Systems; MeshFree Methods and Radial Basis Functions in Computational Sciences; Multiscale Modelling and Simulation Part VI: Quantum Computing Workshop; Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks and Machine Learning; Software Engineering for Computational Science; Solving Problems with Uncertainty; Teaching Computational Science; Uncertainty Quantification for Computational Models •The conference was held virtually.

The six-volume set LNCS 12742, 12743, 12744, 12745, 12746, and 12747 constitutes the proceedings of the 21st International Conference on Computational Science, ICCS 2021, held in Krakow, Poland, in June 2021.•The total of 260 full papers and 57 short papers presented in this book set were carefully reviewed and selected from 635 submissions. 48 full and 14 short papers were accepted to the main track from 156 submissions; 212 full and 43 short papers were accepted to the workshops/ thematic tracks from 479 submissions. The papers were organized in topical sections named:Part I: ICCS Main Track Part II: Advances in High-Performance Computational Earth Sciences: Applications and Frameworks; Applications of Computational Methods in Artificial Intelligence and Machine Learning; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Biomedical and Bioinformatics Challenges for Computer Science Part III: Classifier Learning from Difficult Data; Computational Analysis of Complex Social Systems; Computational Collective Intelligence; Computational Health Part IV: Computational Methods for Emerging Problems in (dis-)Information Analysis; Computational Methods in Smart Agriculture; Computational Optimization, Modelling and Simulation; Computational Science in IoT and Smart Systems Part V: Computer Graphics, Image Processing and Artificial Intelligence; Data-Driven Computational Sciences; Machine Learning and Data Assimilation for Dynamical Systems; MeshFree Methods and Radial Basis Functions in Computational Sciences; Multiscale Modelling and Simulation Part VI: Quantum Computing Workshop; Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks and Machine Learning; Software Engineering for Computational Science; Solving Problems with Uncertainty; Teaching Computational Science; Uncertainty Quantification for Computational Models •The conference was held virtually.Chapter “Effective Solution of Ill-posed Inverse Problems with Stabilized Forward Solver” is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.

The six-volume set LNCS 12742, 12743, 12744, 12745, 12746, and 12747 constitutes the proceedings of the 21st International Conference on Computational Science, ICCS 2021, held in Krakow, Poland, in June 2021.•The total of 260 full papers and 57 short papers presented in this book set were carefully reviewed and selected from 635 submissions. 48 full and 14 short papers were accepted to the main track from 156 submissions; 212 full and 43 short papers were accepted to the workshops/ thematic tracks from 479 submissions. The papers were organized in topical sections named:Part I: ICCS Main Track Part II: Advances in High-Performance Computational Earth Sciences: Applications and Frameworks; Applications of Computational Methods in Artificial Intelligence and Machine Learning; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Biomedical and Bioinformatics Challenges for Computer Science Part III: Classifier Learning from Difficult Data; Computational Analysis of Complex Social Systems; Computational Collective Intelligence; Computational Health Part IV: Computational Methods for Emerging Problems in (dis-)Information Analysis; Computational Methods in Smart Agriculture; Computational Optimization, Modelling and Simulation; Computational Science in IoT and Smart Systems Part V: Computer Graphics, Image Processing and Artificial Intelligence; Data-Driven Computational Sciences; Machine Learning and Data Assimilation for Dynamical Systems; MeshFree Methods and Radial Basis Functions in Computational Sciences; Multiscale Modelling and Simulation Part VI: Quantum Computing Workshop; Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks and Machine Learning; Software Engineering for Computational Science; Solving Problems with Uncertainty; Teaching Computational Science; Uncertainty Quantification for Computational Models •The conference was held virtually.Chapter “Deep Learning Driven Self-adaptive hp Finite Element Method” is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.

The six-volume set LNCS 12742, 12743, 12744, 12745, 12746, and 12747 constitutes the proceedings of the 21st International Conference on Computational Science, ICCS 2021, held in Krakow, Poland, in June 2021.•The total of 260 full papers and 57 short papers presented in this book set were carefully reviewed and selected from 635 submissions. 48 full and 14 short papers were accepted to the main track from 156 submissions; 212 full and 43 short papers were accepted to the workshops/ thematic tracks from 479 submissions. The papers were organized in topical sections named:Part I: ICCS Main Track Part II: Advances in High-Performance Computational Earth Sciences: Applications and Frameworks; Applications of Computational Methods in Artificial Intelligence and Machine Learning; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Biomedical and Bioinformatics Challenges for Computer Science Part III: Classifier Learning from Difficult Data; Computational Analysis of Complex Social Systems; Computational Collective Intelligence; Computational Health Part IV: Computational Methods for Emerging Problems in (dis-)Information Analysis; Computational Methods in Smart Agriculture; Computational Optimization, Modelling and Simulation; Computational Science in IoT and Smart Systems Part V: Computer Graphics, Image Processing and Artificial Intelligence; Data-Driven Computational Sciences; Machine Learning and Data Assimilation for Dynamical Systems; MeshFree Methods and Radial Basis Functions in Computational Sciences; Multiscale Modelling and Simulation Part VI: Quantum Computing Workshop; Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks and Machine Learning; Software Engineering for Computational Science; Solving Problems with Uncertainty; Teaching Computational Science; Uncertainty Quantification for Computational Models •The conference was held virtually.

The six-volume set LNCS 12742, 12743, 12744, 12745, 12746, and 12747 constitutes the proceedings of the 21st International Conference on Computational Science, ICCS 2021, held in Krakow, Poland, in June 2021.•The total of 260 full papers and 57 short papers presented in this book set were carefully reviewed and selected from 635 submissions. 48 full and 14 short papers were accepted to the main track from 156 submissions; 212 full and 43 short papers were accepted to the workshops/ thematic tracks from 479 submissions. The papers were organized in topical sections named:Part I: ICCS Main Track Part II: Advances in High-Performance Computational Earth Sciences: Applications and Frameworks; Applications of Computational Methods in Artificial Intelligence and Machine Learning; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Biomedical and Bioinformatics Challenges for Computer Science Part III: Classifier Learning from Difficult Data; Computational Analysis of Complex Social Systems; Computational Collective Intelligence; Computational Health Part IV: Computational Methods for Emerging Problems in (dis-)Information Analysis; Computational Methods in Smart Agriculture; Computational Optimization, Modelling and Simulation; Computational Science in IoT and Smart Systems Part V: Computer Graphics, Image Processing and Artificial Intelligence; Data-Driven Computational Sciences; Machine Learning and Data Assimilation for Dynamical Systems; MeshFree Methods and Radial Basis Functions in Computational Sciences; Multiscale Modelling and Simulation Part VI: Quantum Computing Workshop; Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks and Machine Learning; Software Engineering for Computational Science; Solving Problems with Uncertainty; Teaching Computational Science; Uncertainty Quantification for Computational Models •The conference was held virtually.Chapter “Intelligent Planning of Logistic Networks to Counteract Uncertainty Propagation” is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.The six-volume set LNCS 12742, 12743, 12744, 12745, 12746, and 12747 constitutes the proceedings of the 21st International Conference on Computational Science, ICCS 2021, held in Krakow, Poland, in June 2021.•The total of 260 full papers and 57 short papers presented in this book set were carefully reviewed and selected from 635 submissions. 48 full and 14 short papers were accepted to the main track from 156 submissions; 212 full and 43 short papers were accepted to the workshops/ thematic tracks from 479 submissions. The papers were organized in topical sections named:Part I: ICCS Main TrackPart II: Advances in High-Performance Computational Earth Sciences: Applications and Frameworks;Applications of Computational Methods in Artificial Intelligence and Machine Learning; Artificial Intelligence and High-Performance Computing for Advanced Simulations; Biomedical and Bioinformatics Challenges for Computer SciencePart III: Classifier Learning from Difficult Data; Computational Analysis of Complex Social Systems; Computational Collective Intelligence; Computational HealthPart IV: Computational Methods for Emerging Problems in (dis-)Information Analysis; Computational Methods in Smart Agriculture; Computational Optimization, Modelling and Simulation; Computational Science in IoT and Smart SystemsPart V: Computer Graphics, Image Processing and Artificial Intelligence; Data-Driven Computational Sciences; Machine Learning and Data Assimilation for Dynamical Systems; MeshFree Methods and Radial Basis Functions in Computational Sciences; Multiscale Modelling and SimulationPart VI: Quantum Computing Workshop; Simulations of Flow and Transport: Modeli