Past Events

4th Conference on Multiscale Modelling of Condensed Phase and Biological Systems - CCPBioSim & CCP5
From Monday 29 March 2021
To Wednesday 31 March 2021

This event will be held online, 29-31 March 2021.

The collaborative computational projects for biomolecular and condensed matter simulation, CCPBioSim and CCP5, are holding a fourth international conference on the theme of multiscale modelling online, following on from previous events held in Manchester in 2014, 2016 and 2018.

The three-day event will bring together leading researchers from biological and materials chemistry to discuss topics of common interest across the spectrum of electronic structure, atomistic and mesoscopic scales and to address the current and future challenges posed by multiscale modelling.

Invited Speakers

The following invited speakers have confirmed their participation (titles subject to change):

Maria Fyta (Stuttgart, Germany) Detecting DNA with nanopores: using concurrent and sequential multiscale approaches
Frauke Gräter (Heidelberg, Germany) Hybrid simulations of protein mechanochemistry: jumping over learned barriers
Syma Khalid (University of Southampton) Bacterial Lipid Membranes
Christopher Horst Lillig (Greifswald, Germany) Prediction of protein-protein interactions based on their electrostatic properties
Céline Merlet (Toulouse, France) On the development of a computationally efficient mesoscopic model to predict the performance of porous carbons as electrode materials for energy storage
Irina Paci (Victoria, Canada) Nanocomposite Materials for Optical and Dielectric Applications: A Theoretical Approach
Lars Pastewka (Freiburg, Germany) Modeling contact, adhesion and friction across the scales
Anđela Šarić (UCL, UK) How to build a biological nanomachine
Rebecca Wade (Heidelberg, Germany) Bridging timescales: Protein-ligand binding kinetics and beyond


The conference will be held online, registered participants will receive the links by email a few days before the event starts. Please note that all times listed will be in the UK time zone.

The schedule is here (subject to change).

Contributed Oral and Poster Presentations

Contributed talks and posters have been selected from abstracts submitted for the cancelled event in March 2020.



Registration is required to attend (regardless of if you registered for the 2020 event or not), please use this booking site.

Registration deadline - 23 March 2021
Registration fee - £0
Maximum number of participants - 500


Organising Committee

Sarah Fegan, STFC Daresbury Laboratory (email: This email address is being protected from spambots. You need JavaScript enabled to view it.)
Agnieszka Bronowska, Newcastle University
Daniel Cole, Newcastle University
Thomas Keal, STFC Daresbury Laboratory