CCP5/CCP_BioSim Molecular Simulation and Software Training School - Materials and Biomolecules

CCP5/CCP_BioSim Molecular Simulation and Software Training School - Materials and Biomolecules

@Universidad del Norte, Barranquilla, Colombia
Date: 25 – 29 June 2018



Computational methods are a powerful tool that can be used to tackle problems inherent to research in all areas of natural sciences and engineering. They can be applied in fields such as material discovery, chemistry of reactions, biological processes and drug design among others. The versatility and wide range of applications of molecular simulations has led to these techniques being considered as the third methodology together with experiments and theoretical work to study processes in many areas of the physical sciences.
The CCP5/CCP_BioSim Molecular Simulation and Software Training School – Materials and Biomolecules, has as a main goal to provide researchers, PhD and Master students with training on the use of computational techniques used to simulate molecular systems. This school is intended mainly for newcomers to the science of molecular simulations and will provide a comprehensive introduction to the methodology, practical sessions and examples oriented to show the versatility of these methods. The practical sessions will give the attendees practice in internationally leading simulation codes which are free to use.
Financial support: A limited amount of money is available to partially support the attendance of some of the selected participants
Teaching language is English.
Important dates:
Registration deadline
Deadline for financial support: May 31st, 2018
Deadline without financial support: June 10, 2018.


Prof Neil Allan, University of Bristol
Prof Ilian Todorov, Daresbury Laboratory
Dr Chin Yong, Daresbury Laboratory
Dr Michael Seaton, Daresbury Laboratory
Dr Alin M Elena, Daresbury Laboratory

Local Organisers (Universidad del Norte)

Dr Carlos Pinilla
Dr Alfredo Lora
Stefania Vargas

local organisers can be contacted at 


  9:00 10:00 11:00 11:30 12:30 14:00 15:30 16:00 17:00
Day 1 Overview of molecular simulations Statistical Mechanics 1 Refreshment Intro. to Practical session Lunch Practical Workshop 1 Refreshment Practical Workshop 2 Prof Neil Allan
Day 2 Molecular Dynamics 1 Molecular Dynamics 2 Refreshment Intro to DL_POLY Lunch Practical Workshop 3 Refreshment Practical Workshop 4 Seminar 2
Day 3 ForceFields MC Refreshment Intro to DL_MONTE Lunch Practical Workshop 5 Refreshment Practical Workshop 6

Seminar 3

Day 4     DL_FIELD Intro to DL_FIELD Lunch Practical Workshop 7 Refreshment Practical Workshop 8 Seminar 4
Day 5 DPD 1 DPD 2 Refreshment Intro to DL_MESO Lunch Practical Workshop 9 Refreshment Practical Workshop 10 Seminar 5


Basic knowledge of physics, chemistry and mathematics at undergraduate level. 

Basic knowledge of linux

Click to Register


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