Welcome Address |
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Prof Peter Coveney, University College London | Video | |
Plenary Talk: Integrating Machine Learning and Multiscale Modeling in Biomedical Sciences |
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Prof George Karniadakis, Brown University | Abstract | Video |
Multiscale Modelling & Patterns of Compute | Improving Trust in Computational Tools | ||||
Mutliscale modelling of deformation and contraction of blood clots | B-DNA and G-DNA Structure and Stability: insight from quantum chemical computations | ||||
Mark Alber (Invited), University of California Riverside | Celia Fonseca Guerra (Invited), Vrije Universiteit Amsterdam | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
A Scale Separation Approach Applied to a Mathematical Model of Solid Tumour Growth | A Graph Cut approach for Hip-Joint Segmentation | ||||
Barbara de Melo Quintela, Universidade Federal de Juiz de Fora | Riccardo Biondi, Alma Mater Studorum University of Bologna | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Modelling the Electrophysiology of the Zebrafish Heart: A Computational Study | The StentValid Collection and Validation of a Multiscale Model of In-Stent Restenosis | ||||
Ludovica Cestarbolo, Politecnico di Milano | Pavel Zun, University of Amsterdam | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
A Multiscale Model of Cerebral Perfusion During Acute Ischaemic Stroke with Collaterals | Population of models of the electromechanical activity in human ventricular cells | ||||
Raymond Padmos, University of Amsterdam | Arsenii Dokuchaev, Russian Academy of Sciences | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Multiscale Modelling & Patterns of Compute | From Desktop to HPC and Beyond in the clinic | ||||
A new multi-component model to simulate the single red blood cell behaviour | Potential, Challenges and Future Directions of Machine Learning for the Diagnosis of COVID-19 | ||||
Luca Meacci, Universidade de São Paulo | Yalin Zheng (Invited), Liverpool University | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Lattice-Boltzmann Fibrinolysis | Cost-Effectiveness Analysis of CT2S screening for osteoporosis in Dutch postmenopausal women | ||||
Remy Petkantchin, University of Geneva | Jieyi Li, University of Amsterdam | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
ACEMD4: protein-ligand complete simulations with a hybrid method of neural network potential and molecular mechanics | Leverage large-scale HPC machines with QCG-PilotJob | ||||
Raimondas Galvelis, Acellera | Bartosz Bosak, Poznan Supercomputing and Networking Center | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Mutations in DNA: A Multiscale Study | Evaluation of the effectiveness of His-Purknije pacing for cardiac resynchronisation therapy in patient-specific computer models | ||||
Alya Arabi, United Arab Emirates University | Arsenii Dokuchaev, Russian Academy of Sciences | ||||
Abstract | Slides | Video | Slides | Video |
On the path to the Exascale and Validation, Verification and Uncertainty Quantification | Imaging & Visualisation with Validation, Verification and Uncertainty Quantification | ||||
Development and performance comparison of a HemeLB GPU code for human-scale blood flow simulation | Visualisation of Human-Scale Blood Flow Simulation using Intel OSPRay Studio on SuperMUC-NG | ||||
Ioannis Zacharoudiou, University College London | Elisabeth Mayer, Leibniz Supercomputing Center | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
The Value of Exascale | pFIRE a parallel Framework for biomedical Image REgistration | ||||
Crispin Keable, Atos | Daniele Tartarini, University of Sheffield | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Human-Scale Vascular Simulation with HemeLB – Progress towards the Virtual Heart | Leaflet Stress Quantification of Surgical vs Transcatheter Aortic Valve Bioprostheses: An In Vitro Study | ||||
Jon McCullough, University College London | Viktoria Stanova, Aix Marseille Université | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
SimInSitu – In Silico Development and Clinical Trial Platform for Testing in situ Tissue Engineered Hear Valves | Identification of biomarkers for distal perfusion following an ischaemic event | ||||
Nils Götzen, 4RealSim BV | Ivan Benemerito, University of Sheffield | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
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Plenary Talk: Automating Workflows for Creating Digital Twins of. Cardiac Electrophysiology from non-invasive Data |
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Prof Gernot Plank, Medical University of Graz | Abstract | Video |
Molecular Medicine and Drug Discovery | Public Awareness, Training and Education with Public Policy | ||||
Combination of Molecular Dynamics and Machine Learning for the Prediction of Molecular Properties | Innovation in Medical Education: Using high performance computing to share mixed methods research projects across Medical Schools | ||||
Sereina Riniker (Invited), ETH Zürich | Guillerme Hautberge, Barcelona Supercomputing Centre | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
WebTIES: Relative Binding Free Energies based on Dual Toplogy with support for OpenMM/NAMD3 within a Web Portal | San PhD Programme – New Opportunities for Research and Education in Computational Medicine | ||||
Mateusz K. Bieniek and Alex Wadę, Newcastle University and University College London | Maciej Malawski, Sano Centrę for Computational Medicine | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Bioisosteres of Carboxylic Acid in Drug Design | 3D Airflow Simulations to Mitigate the Environmental Transmission Risk | ||||
Alya Arabi, United Arab Emirates University | Emmanuel Vanoli, Dassault Systemes | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Large scale systematic relative binding free energy study of ligand-protein interactions; a first application of the TIES toolkit | Creating a community of practice in computational biomedicine: optimising training delivery to maximise user engagement | ||||
Agastya P. Bhati, University College London | Andrea Townsend-Nicholson, University College London | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Evaluation and Characterization of Potential SMYD3 Inhibitors | Joint project-based training of medical, biology and engineering students on data science and computational models in biomedicine | ||||
Shunzhou Wan, University College London | Oscar Camara, Universidad Pompeu Fabra | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Molecular Medicine and Drug Discovery | Building the Virtual Human | ||||
A long-timescale ensemble study of SARS-Cov2 protein-ligand interaction | Building the Virtual Human: From where we are now to where we aspire to be | ||||
Art Hoti, University College London | Peter Coveney (Invited), University College London | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Consensus Scoring for Challenging GPCR Virtual Ligand Screening | A Detailed description of the Local Cerebrovasculature Matters: Insights from Computational Simulation of Thrombectomy | ||||
Anna Koriazhkina, Moscow Institute of Physics and Technology (National Research University) | Sara Bridio, Politecnico di Milano | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Thermodynamic and Structural Insights into Inhibitors of SARS-CoV-2 Main Protease from repurposing Drug Libraries | Computational Modeling of Ischemia, Myocardial Infarction and Hypokalemia in a Human Heart Model Demonstrate High Fidelity between Clinical Data and Simulation | ||||
Shunzhou Wan, University College London/td> | Jazmin Aguad-Sierra, Barcelona Supercomputing Centre | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Taking inspiration from nature: computational transition state analogue design | Enabling organized computer simulations with patient cohort data | ||||
Will Gerrard, Kuano | Marek Kasztelnik, ACC Cyfronet AGH | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
The Role of Quantum Computing in Biomedicine | PerMedCoE: Modelling and simulation for the interpretation of single-cell data | ||||
Beyond Classical Computing | The potential of multi-comics for clinical variable modelling in cancer | ||||
Sergio Boixo, Google Quantum Supremacy | Altuna Akalin, Max delbruck Center | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Quantum Simulation for Chemistry | Drug Repurposing Pipeline Using Overparametrized Representation Learning and Causality | ||||
Nathan Wiebe, University of Toronto | Louis Cammarata, Harvard University | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Hardware Roadmap and Applications of Quantum Computing at IBM | Forecasting Cellular States; from Descriptive to Predictive Biology via Single-cell Multiomics | ||||
JAntonio Mezzacapo, IBM | Genevieve Stein-O’Brien, Johns Hopkins School of Medicine | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Fault-tolerant quantum computing with photonics | Modelling cell-cell Communications from Biological Knowledge and Singe-cell Data | ||||
Sam Pallister, PsiQuantum | Julio Sáez-Rodriguez, Heidelberg University | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Panel Discussion | Technical and biological variability in Single-cell and Spatial Genomics | ||||
Elizabetta Mereu, Josep Carreras Research Institute | |||||
Video | Abstract | Slides | Video | ||
Systems biology and the Metabolic Heterogeneity in Cancer | |||||
Osbaldo Resendis, UNAM, INMEGEN | |||||
Abstract | Slides | Video | |||
PerMedCoE Project Overview | |||||
Allfonso Valencia, Barcelona Supercomputing Centre | |||||
Abstract | Slides | Video |
Plenary Talk: Computational Medicine in Congenital and Pediatric Cardiology |
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Prof Lucille Houyel, Hôpital Necker-Enfants Malades | Abstract | Video |
Organ Modelling | Accelerating the Adoption of in silico Trials | ||||
Powering Digital Health: The Strategic Role of Organ Level Modelling | Models Vs Experiments: a Theoretical Framing as a Foundation for Good Simulation Practices | ||||
Mark Palmer (Invited), Medtronic | Marco Viceconti, Alma Mater Studiorum – University of Bologna | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
A Fluid-Structure Interaction study to Model the Thoracic Endovascular Aortic Repair Procedure | Certification and Qualification of in silico> Trials Solutions | ||||
Anna Ramella, Politecnico di Milano | Francesco Pappalardo, University of Catania | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Novel Application Motivated Advanced Boudary Conditions for Cellular Blood Flow Simulations | Synthetic Cohorts for Osteoporosis Drug Phase III Clinical Trials: Cohort Generation from Anatomic Statistical Atlas | ||||
Christian Spieker, University of Amsterdam | Antonino Amedeo La Mattina, Alma Mateer Studiorum – University of Bologna | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Sensitivity Analysis to Haemodynamic Boundary Conditions in Human Coronary Arteries | in silico Trials of Multiple Sclerosis Treatments | ||||
Paula Dominguez Gomez, University Pompeu Fabra | Giulia Russo, University of Catania | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Investigation of Flow Patterns in a 2D Thrombus Based on Porosity Data | Toward Creating a Virtual Patient Population for Virtual Imagining Trials | ||||
Yue Hao, University of Amsterdam | Wayne Fu, Duke University | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Organ Modelling | Accelerating the Adoption of in silico Trials | ||||
In silico Fluid-structure Interaction Analysis of the Effect of Eccentricity on the Performance of Bioprosthetic Aortic Valve Replacements | Innovation Adoption: the Role of a Community of Practice | ||||
David Oks, Barcelona Supercomputing Centre | Roberta De Mechele, Alma Mater Studiorum – University of Bologna | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
A Physiologically Valid 3D-0D Closed-loop Model of the Heart and Circulation | Literacy, Education, Re-training on in silico Trials | ||||
Christoph Augustin, Medical University of Graz | Jos Vander Sloten, KU Leuven | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Predicting Outcomes of Cardiac Resynchronisation Therapy Based on Clinical Biomarkers and Personalised Ventricular Models | Incorporating Data from Mechanical and Flow Measurements into Simulations to quantify Aneurysm Flow Diversion Treatment: A Pilot Study | ||||
Anastasia Bazhutina, Ural Federal University | Benjamin Csipaa, Budapest University of Technology and Economics | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Anomalous Platelets Transport in a Shear Flow of Blood | In silico Medicine: Bringing the Community Together and the Field Forward | ||||
Bastien Chopard, University of Geneva | Liesbet Geris, KU Leuven | ||||
Abstract | Slides | Video | Abstract | Slides | Video |
Plenary Talk: Simultaneous Cross-evaluation of Heterogeneous E. coli Datasets via Mechanistic Simulation |
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Prof Markus Covert, Stanford University | Abstract | Video |