CCP5 School on Modelling



@Universidad Católica del Norte, Antofagasta, Chile

date: 13-17 MAY 2019

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.

This school 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.

Teaching language is English.


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

Research Seminars

Prof Neil Allan, University of Bristol, UK, "Jugando con atomos"
Dr Arturo Martinez, CINESTAV, Mexico, "Ciencia de materiales en la energya y medio ambiente"
Dr Carlos Pinilla, Universidad del Norte, Colombia, "Computational modelling of equilibrium isotope fractionation and thermal stability of minerals at conditions of Earth's interior"
Dr Pere Alemany, Universidad de Barcelona, Spain, "The effects of temperature on molecuar shape and symmetry"


Dr. Sergio Conejeros
Dr. Francisco Calderón
Dr. Cynthia Torres
Dr. Luisberis Velázquez

contact local organisers at


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

Basic knowledge of linux

Selected candidates for the school will pay a fee of 250 USD 

The participation fee includes:
Lunches from Monday to Friday
Social Dinner on Thursday (8:30pm Stein Restaurant, Av Angamos 144, Antofagasta) 
Coffee Breaks
However, we are also offering a limited number of grants to partially/totally cover participation fee, accommodation and travel expenses for attendants from other countries and regions. Request of grant MUST be done during application filling the registration form.


REQUEST OF GRANT                        MARCH 31, 2019.
REGISTRATION                                  APRIL 15, 2019.


  9:00 10:00 11:00 11:30 12:30 14:00 15:30 16:00 17:15
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 Dr Arturo Martinez
Day 3 ForceFields MC Refreshment Rare Events and Free Energy Lunch Practical Workshop 5 Refreshment Practical Workshop 6

Dr Carlos Pinilla

Day 4 Intro to DL_FIELD I Intro to DL_FIELD II  Refreshment DPD 1 Lunch Practical Workshop 7 Refreshment Practical Workshop 8 Dr Pere Alemany
Day 5 DPD 2 Intro to DL_MESO Refreshment Practical Workshop 9 Lunch        

           -Participation is restricted to no more than 50 participants
          - Upon registration, payment details will be sent. 
          - Registration will be considered as definitively confirmed upon payment only. 
          - In case of cancellation, before March 31, 2019, 80% refund of the paid quote is provided (taxes and costs excluded). After March 31, 2019, no refund will be possible.
          - Attendants applying for grants should send a recommendation letter by their supervisor, group leader or senior scientist to the Local Organisers (, supporting the request.

Laboratory material can be found here


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