CompBioMed Conference 2021
15-17 September, 2021 9-4 BST (10-5 CET)

CompBioMed Conference 2021: Building the Virtual Human

CompBioMed Conference will return on 15-17th September 2021, in the online vFairs conference platform and will again address all aspects of the rapidly burgeoning domain of computational biomedicine, from genome through organ to whole human and population levels, embracing data driven, mechanistic modelling and simulation, machine learning and combinations thereof.

Our theme for 2021 is: Building the Virtual Human:How to bring experimental research into your digital twin. We will be welcoming contributions from academic, clinical and industrial participants alike.

The conference is organised by the CompBioMed Centre of Excellence (CoE) in Computational Biomedicine, aimed at nurturing and promoting the uptake and exploitation of high performance computing within the biomedical modelling community.


2021-09-15 09:00:00

Welcome Address

Prof Peter Coveney

2021-09-15 09:15:00

Plenary Talk: Integrating Machine Learning and Multiscale Modeling in Biomedical Sciences

Prof George Karniadakis, Brown University

2021-09-15 10:00:00


Multiscale Modelling & Patterns of Compute
2021-09-15 10:30:00

Multi-scale modelling of deformation and contraction of blood clots

Mark Alber (Invited), University of California Riverside

2021-09-15 10:55:00

A Scale Separation Approach Applied to a Mathematical Model of Solid Tumour Growth

Barbara de Melo Quintela, Universidade Federal de Juiz de Fora

2021-09-15 11:15:00

Modelling the Electrophysiology of the Zebrafish Heart: A Computational Study

Ludovica Cestariolo, Politecnico di Milano

2021-09-15 11:35:00

A Multiscale Model of Cerebral Perfusion During Acute Ischaemic Stroke with Collaterals

Raymond Padmos, University of Amsterdam

2021-09-15 11:55:00


2021-09-15 13:00:00

A new multi-component model to simulate the single red blood cell behaviour

Luca Meacci, Universidade de São Paulo

2021-09-15 13:20:00

Lattice-Boltzmann Fibrinolysis

Remy Petkantchin, University of Geneva

2021-09-15 13:40:00

ACEMD 4: protein-ligand complex simulations with a hybrid method of neural network potential and molecular mechanics

Raimondas Galvelis, Acellera

2021-09-15 14:00:00

Mutations in DNA: A Multiscale Study

Alya Arabi, United Arab Emirates University

2021-09-15 14:20:00


On the path to the Exascale and Validation, Verification and Uncertainty Quantification
2021-09-15 15:00:00

Development and performance comparison of a HemeLB GPU code for human-scale blood flow simulation

Ioannis Zacharoudiou, University College London

2021-09-15 15:20:00

The Value of Exascale

Crispin Keable, Atos

2021-09-15 15:40:00

Human-Scale Vascular Simulation with HemeLB – Progress towards the Virtual Human

Jon McCullough, University College London

2021-09-15 16:00:00

SimInSitu - In-silico Development- and Clinical-Trial-Platform for Testing in-situ Tissue Engineered Heart Valves

Nils Götzen, 4RealSim BV

2021-09-15 16:20:00

End of day

Improving Trust in Computational Tools
2021-09-15 10:30:00

B-DNA and G-DNA Structure and Stability: insight from quantum chemical computations

Celia Fonesca Guerra (Invited), Vrije Universiteit Amsterdam

2021-09-15 10:55:00

A Graph Cut approach for Hip-Joint Segmentation

Riccardo Biondi, Alma Mater Studiorum University of Bologna

2021-09-15 11:15:00

The StentValid Collection and Validation of a Multiscale Model of In-Stent Restenosis

Pavel Zun, University of Amsterdam

2021-09-15 11:35:00

Population of models of the electromechanical activity in human ventricular cells

Arsenii Dokuchaev, Russian Academy of Sciences

2021-09-15 11:55:00


From desktop to HPC and beyond in the clinic
2021-08-15 13:00:00

Potential, Challenges and Future Directions of Machine Learning for the Diagnosis of COVID-19

Yalin Zheng (invited), Liverpool University

2021-09-15 13:25:00

Cost-Effectiveness Analysis of CT2S screening for osteoporosis in Dutch postmenopausal women

Jieyi Li, University of Amsterdam

2021-09-15 13:45:00

Leverage large-scale HPC machines with QCG-PilotJob

Bartosz Bosak, Poznan Supercomputing and Networking Center

2021-09-15 14:05:00

Evaluation of the effectiveness of His-Purkinje pacing for cardiac resynchronization therapy in patient-specific computer models

Arsenii Dokuchaev, Russian Academy of Sciences

2021-09-15 14:25:00


Imaging & Visualisation (with additional Verification, Validation and Uncertainty Quantification talk)
2021-09-15 15:00:00

Visualization of Human-Scale Blood Flow Simulation using Intel OSPRay Studio on SuperMUC-NG

Elisabeth Mayer, Leibniz Supercomputing Centre

2021-09-15 15:20:00

pFIRE a parallel Framework for biomedical Image REgistration

Daniele Tartarini, University of Sheffield

2021-09-15 15:40:00

Leaflet Stress Quantification of Surgical vs. Transcatheter Aortic Valve Bioprostheses: An In Vitro Study

Viktoria Stanova, Aix Marseille Université

2021-09-15 16:00:00

Identification of biomarkers for distal perfusion following an ischaemic event

Ivan Benemerito, University of Sheffield

2021-09-15 16:20:00

End of day

2021-09-16 09:00:00

Plenary Talk: Automating Workflows for Creating Digital Twins of Cardiac Electrophysiology from non-invasive Data

Prof Gernot Plank, Medical University of Graz

2021-09-16 09:45:00


Molecular Medicine & Drug Discovery
2021-09-16 10:15:00

Combination of Molecular Dynamics and Machine Learning for the Prediction of Molecular Properties

Sereina Riniker (Invited Speaker), ETH Zürich

2021-09-16 10:40:00

WebTIES: Relative Binding Free Energies based on Dual Topology with support for OpenMM / NAMD 3 within a Web Portal

Mateusz K. Bieniek and Alex Wade, Newcastle University and University College London

2021-09-16 11:00:00

Bioisosteres of Carboxylic Acid in Drug Design

Alya Arabi, United Arab Emirates University

2021-09-16 11:20:00

Large scale systematic relative binding free energy study of ligand-protein interactions: a first application of the TIES toolkit

Agastya P. Bhati, University College London

2021-09-16 11:40:00

Evaluation and Characterization of Potential SMYD3 Inhibitors

Shunzhou Wan, University College London

2021-09-16 12:00:00


2021-09-16 13:00:00

A long-timescale, ensemble study of SARS-CoV-2 protein-ligand interactions

Art Hoti, University College London

2021-09-16 13:20:00

Consensus Scoring for Challenging GPCR Virtual Ligand Screenings

Anna Koriazhkina, Moscow Institute of Physics and Technology (National Research University)

2021-09-16 13:40:00

Energetic and Structural Insights into the Inhibitors of SARS-CoV-2 Main Protease from Repurposing Drug Libraries

Shunzhou Wan, University College London

2021-09-16 14:00:00

Taking inspiration from nature: computational transition state analogue design

Will Gerrard, Kuano

2021-09-16 14:20:00


PerMedCoE: Modelling and simulation for the interpretation of single-cell data
2021-09-16 14:20:00

Drug Repurposing Pipeline Using Overparametrized Representation Learning and Causality

Altuna Akalin, Max Delbruck Center

2021-09-16 15:00:00

Drug Repurposing Pipeline Using Overparametrized Representation Learning and Causality

Louis Cammarata, Harvard University

2021-09-16 15:20:00

Forecasting cellular states: from descriptive to predictive biology via single-cell multiomics

Genevieve Stein-O'Brien, Johns Hopkins School of Medicine

2021-09-16 15:40:00


2021-09-16 15:50:00

Modelling cell-cell communication from biological knowledge and single-cell data

Julio Sáez-Rodríguez, Heidelberg University

2021-09-16 16:10:00

Technical and biological variability in single-cell and spatial genomics

Elisabetta Mereu, Josep Carreras Research Institute

2021-09-16 16:30:00

Systems biology and the metabolic heterogeneity in cancer

Osbaldo Resendis, UNAM, INMEGEN

2021-09-16 16:50:00

Introduction to PerMedCoE

Alfonso Valencia, BSC

2021-09-16 17:10:00

Wrap-up and Questions

2021-09-16 17:20:00

End of Day

Public Awareness, Training and Education including Public Policy
2021-09-16 10:15:00

Innovation in Medical Education: Using high performance computing to share mixed methods research projects across Medical Schools

Guillerme Hautbergue, BSC

2021-09-16 10:40:00

Sano PhD Programme - New Opportunities for Research and Education in Computational Medicine

Maciej Malawski, Sano Centre for Computational Medicine

2021-09-16 11:00:00

3D Airflow Simulations to Mitigate the Environmental Transmission Risk

Emmanuel Vanoli, Dassault Systemes

2021-09-16 11:20:00

Creating a community of practice in computational biomedicine: optimising training delivery to maximise user engagement

Andrea Townsend-Nicholson, University College London

2021-09-16 11:40:00

Joint project-based training of medical, biology and engineering students on data science and computational models in biomedicine

Oscar Camara, UPF

2021-09-16 12:00:00


Building the Virtual Human
2021-09-16 13:00:00

Building the Virtual Human: From where we are now to where we aspire to be

Peter Coveney (Invited), University College London

2021-09-16 13:25:00

Detailed Description of the Local Cerebrovasculature Matters: Insights from Computational Simulations of Thrombectomy

Sara Bridio, Politecnico di Milano

2021-09-16 13:45:00

Computational Modeling of Ischemia, Myocardial Infarction and Hypokalemia in a Human Heart Model Demonstrate High Fidelity between Clinical Data and Simulation

Jazmin Aguado-Sierra, Barcelona Supercomputing Center (BSC)

2021-09-16 14:05:00

Enabling organized computer simulations with patient cohort data

Marek Kasztelnik, ACC Cyfronet AGH

2021-09-16 14:25:00


The role of Quantum Computing in biomedicine
2021-09-16 15:00:00

Beyond classical computing

Sergio Boixo, Google, Quantum Supremacy

2021-09-16 15:20:00

Quantum simulation for Chemistry

Nathan Wiebe, U. Toronto,

2021-09-16 15:40:00

Hardware Roadmap and Applications of Quantum Computing at IBM

Antonio Mezzacapo, IBM,

2021-09-16 16:00:00

Fault-tolerant quantum computing with photonics

Sam Pallister, PsiQuantum

2021-09-16 16:20:00

Panel Discussion

2021-09-16 17:00:00

End of day

2021-09-17 09:00:00

Plenary Talk: Computational Medicine in Congenital and Pediatric Cardiology

Prof Lucile Houyel, Hôpital Necker-Enfants Malades,

2021-09-17 09:45:00


Organ Modelling and Simulation
2021-09-17 10:15:00

Title to follow

Mark Palmer (Invited speaker), Medtronic

2021-09-17 10:40:00

A Fluid-Structure Interaction study to model the Thoracic Endovascular Aortic Repair procedure

Anna Ramella, Politecnico di Milano

2021-09-17 11:00:00

Novel Application Motivated Advanced Boundary Conditions for Cellular Blood Flow Simulations

Christian Spieker, University of Amsterdam

2021-09-17 11:20:00

Sensitivity analysis to haemodynamic boundary conditions in human coronary arteries.

Paula Domínguez Gómez, University Pompeu Fabra

2021-09-17 11:40:00

Investigation of Flow Patterns in a 2D Thrombus Based on Porosity Data

Yue Hao, University of Amsterdam

2021-09-17 12:00:00


2021-09-17 13:00:00

In-silico fluid-structure interaction analysis of the effect of eccentricity on the performance of bioprosthetic aortic valve replacements

David Oks, BSC

2021-09-17 13:20:00

A physiologically valid 3D-0D closed-loop model of the heart and circulation

Christoph Augustin, Medical University of Graz

2021-09-17 13:40:00

Predicting outcomes of cardiac resynchronization therapy based on clinical biomarkers and personalized ventricular models

Anastasia Bazhutina, Ural Federal University

2021-09-17 14:00:00

Anomalous platelets transport in a shear flow of blood

Bastien Chopard, University of Geneva

2021-09-17 14:20:00


Accelerating the Adoption of in silico Trials
2021-09-17 10:15:00

Models Vs. Experiments: a theoretical framing as a foundation for Good Simulation Practices

Marco Viceconti, Alma Mater Studiorum - University of Bologna

2021-09-17 10:40:00

Certification and qualification of In Silico Trials solutions

Francesco Pappalardo, University of Catania

2021-09-17 11:00:00

Synthetic Cohorts for Osteoporosis Drug Phase III Clinical Trials: Cohort Generation from Anatomic Statistical Atlas

Antonino Amedeo La Mattina, Alma Mater Studiorum - University of Bologna

2021-09-17 11:20:00

In silico trials of Multiple Sclerosis treatments

Giulia Russo, University of Catania

2021-09-17 11:40:00

Toward creating a virtual patient population for virtual imaging trials

Wanyi Fu, Duke University

2021-09-17 12:00:00


2021-09-17 13:00:00

Innovation adoption: the role of a Community of Practice

Roberta De Michele, Alma Mater Studiorum - University of Bologna

2021-09-17 13:20:00

Literacy, education, re-training on In Silico Trials

Jos Vander Sloten, KU Leuven

2021-09-17 13:40:00

In silico medicine: bringing the community together and the field forward

Liesbet Geris, KU Leuven

2021-09-17 14:00:00

Incorporating data from mechanical and flow measurements into simulations to quantify aneurysm flow diversion treatment: a pilot study

Benjamin Csippa, Budapest University of Technology and Economics

2021-09-17 14:20:00


2021-09-17 15:00:00

Plenary talk: Simultaneous cross-evaluation of heterogeneous E. coli datasets via mechanistic simulation

Prof Markus Covert, Stanford University

2021-09-17 15:45:00

Finishing Remarks

Prof Peter Coveney

2021-09-17 16:00:00

End of Conference


Keynote Speaker

Professor Markus Covert

Professor George Karniadakis

Gernot Plank, PhD MSc

Professor Lucile HOUYEL

Frequently Asked Questions


CompBioMed Conference 2021 is the 2nd iteration of conferences organised by the CompBioMed Centre of Excellence. More information on the 1st iteration in 2019 can be found at:
  • Participate and engage with presentations from top speakers in the field of Computational Biomedicine
  • Interact with companies and projects in the virtual booths including chat functions and useful links and reading material.
  • Virtual poster session in which presenters are gathered to present their research
  • Take part in the leader board challenge and win prizes!
NO. You do not need to download or install any software to participate in our conference. You only need to have access to the Internet.
The scientific program of CompBioMed Conference 2021 will start on September 15 and end on September 17, 2021.
In order for an abstract to be published it must have one conference registration associated with it. We strongly recommend that you also attend the conference, but if due to unforeseen circumstances you are unable to attend, your paper will still appear in the proceedings if you have registered (incl. payment). Papers without an associated registration completed before or on the author registration deadline will not appear in the proceedings.
Conference deadlines are in the BST time zone.

Paper Submissions

Please see the information above on Call for Abstracts and ensure that you use the template, or the constraints set out. Abstracts will need to be submitted in PDF format using the linklings site.
For each paper go to the Linklings submission page and create a new submission entry for the appropriate track. Never submit two separate papers as one submission entry.
Please upload your supplementary files to an online storage service of your choice (Dropbox, Google Drive, OneDrive, FigShare, etc.) and provide a link to the files inside the paper.


Yes, we do have a student rate, which will be set by “Professional Level” in the registration form. We would ask that you provide evidence of student status to once the payment has been accepted with the name you used to register and “Proof of student status” as the subject.
Yes, please register using the link above. There are three levels of registration fees, all of which are considerably lower than for in-person events. Payment can be easily made through Paypal.

Presentations and Posters

Normally you have 15 minutes (including questions) for a full oral presentation. Keynote speakers will have 45 minutes and Invited Speakers will have 20 minutes.
No. As most presentations will be pre-recorded, you are free to use your own choice of presentation format. We do not have any templates for presentations, you are therefore free to use your own branding.