Publications of the CSL group2023
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Article. Unitary partitioning and the contextual subspace variational quantum eigensolver. Physical Review Research 5(1), 013095.
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Proceedings. Understanding the Dynamics of the Proliferative Phase in Local Burn Wound Healing. In: Proceedings - 2023 2023 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2023. ISBN 9798350337488. pp. 3676-3683.
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Article. Understanding multimorbidity requires sign-disease networks and higher-order interactions, a perspective. Frontiers in Systems Biology 3, 1155599.
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Proceedings. Toxicity in Evolving Twitter Topics. In: Computational Science – ICCS 2023. ISBN 9783031360268. IV, pp. 40-54.
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Article. Towards evolutionary predictions: Current promises and challenges. Evolutionary Applications 16(1), pp. 3-21.
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Article. The relationship between cognitive functioning and psychopathology in patients with psychiatric disorders. Psychological Medicine 53(2), pp. 476-485.
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Article. The evolution of forecasting for decision-making in dynamic environments. Collective Intelligence 2(4).
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Article. The dynamics of corruption under an optional external supervision service. Applied Mathematics and Computation 457, 128172.
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Article. The computational planet. Journal of Computational Science 72, 102102.
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Article. Testing hypotheses on the calcification in scleractinian corals using a spatio-temporal model that shows a high degree of robustness. Journal of Theoretical Biology 561(21), 111382.
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Article. TIES 2.0: A dual-topology open source relative binding free energy builder with web portal. Journal of Chemical Information and Modeling 63(3), pp. 718-724.
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Article. Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations. Nature Communications 14, 3630.
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Article. Simulating the multicausality of Alzheimer's disease with system dynamics. Alzheimer's & Dementia 19(6), pp. 2633-2654.
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Proceedings. Simulating Initial Steps of Platelet Aggregate Formation in a Cellular Blood Flow Environment. In: Computational Science – ICCS 2023. ISBN 9783031360244. III, pp. 323-336.
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Article. Reduced Plasticity in Coupling Strength in the Aging SCN Clock as Revealed by Kuramoto Modeling. Journal of biological rhythms 38(5), pp. 461-475.
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Article. Promises and pitfalls of computational modelling for insurgency conflicts. The Journal of Defense Modeling and Simulation: Applications, Methodology, Technology 20(3), pp. 333-350.
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Proceedings. Professional and 21st Century Skills for Data Driven Digital Economy. In: 2023 IEEE Global Engineering Education Conference (EDUCON). ISBN 9798350399431. pp. 847-854.
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Proceedings. Preface. In: Computational Science – ICCS 2023. ISBN 9783031359958. I, pp. v-vi.
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Proceedings. Preface. In: Computational Science – ICCS 2023. ISBN 9783031360213. II, pp. v-vi.
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Proceedings. Preface. In: 24th International Conference on Computational Science, ICCS 2024. pp. v-vi.
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Article. Preface. Lecture Notes in Computer Science 14076 LNCS, pp. v-vi.
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Article. Preface. Lecture Notes in Computer Science 14075 LNCS, pp. V-Vi.
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Article. Periodic orbits in chaotic systems simulated at low precision. Scientific Reports 13, 11410.
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Article. Optimization of institutional incentives for cooperation in structured populations. Journal of the Royal Society Interface 20(199), 20220653.
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Article. Multivariate continuous-time autoregressive moving-average processes on cones. Stochastic Processes and their Applications 162, pp. 299-337.
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Article. Multi-unit building address geocoding: An approach without indoor location reference data. Transactions in GIS 27(1), pp. 57-83.
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Proceedings. Modelling the Interplay Between Chronic Stress and Type 2 Diabetes On-Set. In: Computational Science – ICCS 2023. ISBN 9783031360206. II, pp. 330-338.
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Article. Measure cross-sectoral structural similarities from financial networks. Scientific Reports 13, 7124.
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Proceedings. Manifold Analysis for High-Dimensional Socio-Environmental Surveys. In: Computational Science – ICCS 2023. ISBN 9783031360275. IV, pp. 25-39.
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Article. Long Time Scale Ensemble Methods in Molecular Dynamics: Ligand-Protein Interactions and Allostery in SARS-CoV-2 Targets. Journal of Chemical Theory and Computation 19(11), pp. 3359-3378.
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Article. Learning Lie Group Symmetry Transformations with Neural Networks. Proceedings of Machine Learning Research 221, pp. 50-59.
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Article. Large-scale molecular dynamics elucidates the mechanics of reinforcement in graphene-based composites. Advanced materials 35(35), e2302237.
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Article. Inverse uncertainty quantification of a mechanical model of arterial tissue with surrogate modelling. Reliability Engineering & System Safety 238, 109393.
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Article. Intrinsic fluctuations of reinforcement learning promote cooperation. Scientific Reports 13, 1309.
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Article. Initial platelet aggregation in the complex shear environment of a punctured vessel model. Physics of Fluids 35(7), 071904.
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Proceedings. Improving the Resiliency of Decentralized Crowdsourced Blockchain Oracles. In: Computational Science – ICCS 2023. ISBN 9783031359958. I, pp. 3-17.
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Article. Improving Article Classification with Edge-Heterogeneous Graph Neural Networks.
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Article. Image-based flow simulation of platelet aggregates under different shear rates. PLoS Computational Biology 19(7), e1010965.
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Article. High-Content and High-Throughput Clonogenic Survival Assay Using Fluorescence Barcoding. Cancers 15(19), 4772.
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Article. High resolution simulation of basilar artery infarct and flow within the circle of Willis. Scientific Reports 13, 21665.
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Proceedings. Global Sensitivity Analysis Using Polynomial Chaos Expansion on the Grassmann Manifold. In: Computational Science – ICCS 2023. ISBN 9783031360305. V, pp. 583-597.
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Article. FabSim3: An automation toolkit for verified simulations using high performance computing. Computer Physics Communications 283, 108596.
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Article. Exploring the potential impact of multi-factor precision interventions in Alzheimer's disease with system dynamics. Journal of Biomedical Informatics 145, 104462.
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Article. Ensemble-Based Approaches Ensure Reliability and Reproducibility. Journal of Chemical Information and Modeling 63(22), pp. 6959-6963.
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Proceedings. Empowering Machine Learning Development with Service-Oriented Computing Principles. In: Service-Oriented Computing - 17th Symposium and Summer School, SummerSOC 2023, Revised Selected Papers. ISBN 9783031457289. pp. 24-44.
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Article. Embracing complexity in sepsis. Critical Care 27, 102.
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Article. Development and performance of a HemeLB GPU code for human-scale blood flow simulation. Computer Physics Communications 282(108548), 108548.
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Proceedings. Data Integration Landscapes. In: Computational Science – ICCS 2023. ISBN 9783031359958. I, pp. 494-508.
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Article. Cooperative behaviour at public electric vehicle charging stations. Travel Behaviour and Society 32, 100572.
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PhD Thesis. Computational models of emergent organisation in conflict environments. ISBN 9789464731811. Supervised by P. M. A. Sloot, T. M. van Engers, and A. I. Barros.
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Article. Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions. Journal of Chemical Theory and Computation 19(21), pp. 7846-7860.
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Proceedings. Characterization of Pedestrian Contact Interaction Trajectories. In: Computational Science – ICCS 2023. ISBN 9783031359958. I, pp. 18-32.
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Article. Capitalized value of evolving flood risks discount and nature-based solution premiums on property prices. Ecological Economics 205, 107682.
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Proceedings. Building a Fine-Grained Analytical Performance Model for Complex Scientific Simulations. In: Parallel Processing and Applied Mathematics. ISBN 9783031304422. I, pp. 183-196.
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Article. Branching archaeocyaths as ecosystem engineers during the Cambrian radiation. Geobiology 21(1), pp. 66-85.
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Article. Benchmarking noisy intermediate scale quantum error mitigation strategies for ground state preparation of the HCl molecule. Physical Review Research 5(4), 043054.
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Article. Author Correction: A simplified mesoscale 3D model for characterizing fibrinolysis under flow conditions. Scientific Reports 13, 20369.
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Article. Applying systems thinking to unravel the mechanisms underlying orthostatic hypotension related fall risk. GeroScience 45(4), pp. 2743-2755.
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Article. An approach for analysing the impact of data integration on complex network diffusion models. Journal of complex networks 11(4), cnad025.
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Article. A stabilizer framework for the Contextual Subspace Variational Quantum Eigensolver and the noncontextual projection ansatz. Journal of Chemical Theory and Computation 19(3), pp. 808-821.
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Article. A simplified mesoscale 3D model for characterizing fibrinolysis under flow conditions. Scientific Reports 13, 13681.
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Article. A network analysis of depressive symptoms and metabolomics. Psychological Medicine 53(15), pp. 7385-7394.
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Article. A data-driven computational model for obesity-driven diabetes onset and remission through weight loss. iScience 26(11), 108324.
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Proceedings. A comparison study on creating simulated patient data for individuals suffering from chronic coronary disorders. In: 2023 45th Annual International Conference of the IEEE Engineering in Medicine & Biology Society (EMBC). ISBN 9798350324471. pp. 3630-3633.
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Article. A Semi-Static Replication Method for Bermudan Swaptions under an Affine Multi-Factor Model. Risks 11(10), 168.
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Proceedings. A Novel High-Throughput Framework to Quantify Spatio-Temporal Tumor Clonal Dynamics. In: Computational Science – ICCS 2023. ISBN 9783031360237. III, pp. 345-359.
2022
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Article. Understanding the coevolution of mask wearing and epidemics. Proceedings of the National Academy of Sciences 119(26), e2123355119.
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Article. Understanding Complexity in Charging Infrastructure through the Lens of Social Supply–Demand Systems. World Electric Vehicle Journal 13(3), 44.
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Article. Uncertainty quantification of a three-dimensional in-stent restenosis model with surrogate modelling. Journal of the Royal Society Interface 19(187), 20210864.
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Article. Traumatic vessel injuries initiating hemostasis generate high shear conditions. Blood Advances 6(16), pp. 4834-4846.
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Proceedings. Towards adaptive quality-aware Complex Event Processing in the Internet of Things. In: 2022 18th International Conference on Mobility, Sensing and Networking : MSN 2022. ISBN 9781665464574. pp. 571-575.
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Article. The effect of stiffened diabetic red blood cells on wall shear stress in a reconstructed 3D microaneurysm. Computer methods in biomechanics & biomedical engineering 25(15), pp. 1691-1709.
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Article. The Impact of Stochastic Volatility on Initial Margin and MVA for Interest Rate Derivatives. Applied Mathematical Finance 29(2), pp. 141-179.
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Article. The Future of Burn Care From a Complexity Science Perspective. Journal of Burn Care & Research 43(6), pp. 1312-1321.
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PhD Thesis. Surrogate modelling and uncertainty quantification for multiscale simulation. Supervised by A. G. Hoekstra and V. Krzhizhanovskaya.
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Report. Strategies of Change.
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Article. Sociocultural determinants of global mask-wearing behavior. Proceedings of the National Academy of Sciences 119(41), e2213525119.
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Proceedings. Smartphone-Based Real-Time Indoor Positioning Using BLE Beacons. In: 2022 IEEE 18th International Conference on Automation Science and Engineering (CASE 2022). ISBN 9781665490429. pp. 1281-1288.
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Proceedings. Simulation-Based Analysis of Evacuation Elevator Allocation for a Multi-Level Hospital Emergency Department. In: Proceedings of the 2022 Winter Simulation Conference. ISBN 9781665476614. pp. 358-369.
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Article. Segregation and clustering of preferences erode socially beneficial coordination. IAS Review 3, 3.2.
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Article. Scar formation from the perspective of complexity science. Journal of Wound Care 31(2), pp. 178-184.
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Article. Quantitative three-dimensional morphological analysis supports species discrimination in complex-shaped and taxonomically challenging corals. Frontiers in Marine Science 9, 955582.
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Article. Punishment institutions selected and sustained through voting and learning. Nature Sustainability 5(7), p. 578–585.
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Proceedings. Preface. In: Computational Science – ICCS 2022. ISBN 9783031087578. III, pp. v-vi.
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Proceedings. Preface. In: Computational Science – ICCS 2022. ISBN 9783031087547. II, pp. v-vi.
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Proceedings. Preface. In: Computational Science – ICCS 2022. ISBN 9783031087516. I, pp. v-vi.
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Proceedings. Preface. In: Computational Science – ICCS 2022. ISBN 9783031087608. IV, pp. v-vi.
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Article. No robust relation between larger cities and depression. Proceedings of the National Academy of Sciences 119(2), e2118943118.
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Article. New Approach to Privacy-Preserving Clinical Decision Support Systems for HIV Treatment. Journal of medical systems 46(12), 84.
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Article. Multiscale analysis on otolith structural features reveals differences in ontogenesis and sex in Merluccius merluccius in the western Adriatic Sea. Royal Society Open Science 9(5), 211943.
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Article. Modelling the dynamic relationship between spread of infection and observed crowd movement patterns at large scale events. Scientific Reports 12, 14825.
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Article. Modelling collateral flow and thrombus permeability during acute ischaemic stroke. Journal of the Royal Society Interface 19(195), 20220649.
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Article. Mechanisms for increased school segregation relative to residential segregation: a model-based analysis. Computers, Environment and Urban Systems 93, 101772.
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Article. Maximum expected survival rate model for public access defibrillator placement. Resuscitation 170, pp. 213-221.
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Article. Loss of α4A- and β1-tubulins leads to severe platelet spherocytosis and strongly impairs hemostasis in mice. Blood 140(21), pp. 2290-2299.
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Article. LightPlay: Using an External Ambient Lighting Strip for Video Game Indicators. Proceedings of the ACM on Human-Computer Interaction 6(CHI PLAY), 241.
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Article. Learning to Collude in a Pricing Duopoly. Manufacturing and Service Operations Management 24(5), pp. 2577-2594.
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Article. Information Decomposition Diagrams Applied beyond Shannon Entropy: A Generalization of Hu's Theorem.
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Article. Influence of committed volunteers on helping behavior in emergency evacuations. Journal of Physics: Complexity 3(1), 015005.
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Article. Impact of cardiovascular evaluations and interventions on fall risk in older adults: a protocol for a scoping review and evidence map. BMJ Open 12(4), e057959.