Postdoctoral Position in Computational Capabilities to Simulate Energetic Materials at the Microscale

Universitat Rovira i Virgili



Development of Computational Capabilities to Simulate Energetic Materials at the Microscale

Department of Chemical Engineering, ETSEQ, Universitat Rovira i Virgili,
Tarragona (South Barcelona), Catalonia, Spain.


The Molecular Simulation research group of the Department of Chemical Engineering is
seeking a highly motivated postdoctoral student. We are a dynamic multidisciplinary team
performing internationally leading research into the development and application of
mesoscopic modelling methods for complex systems, including multiphasic chemical
reactions, fluid dynamics with phase change, among others.

The successful candidate will work in the context of Generalised Dissipative Particle
Dynamics with energy conservation (GenDPDE) [1], developing, testing and implementing
new algorithms with a particular focus on chemical reactions with phase change. The main
objective is to construct Lagrangian algorithms, including thermal fluctuations, for model
DPDE particles, and theoretically describe the resulting dynamic (transport coefficients)
and thermodynamic behaviour for further application in real systems. You will be part of an
international team including the Czech Academy of Sciences and the Army Research
Laboratory at the USA.


The candidate should have a PhD, preferably in Physics or Chemical, Aerospace, Naval or
Mechanical Engineering, or other fields related to the dynamic simulation of complex fluids.
The key elements in the candidate’s profile should be:

i. a solid background in Statistical Mechanics,

ii. experience with molecular simulation (preferably molecular dynamics, although
experience in SPH fluid simulations is also welcome),

iii. a proven ability for scientific programming (preferably Fortran 90, Matlab, C, C++ or
Python). The job is expected to involve familiarisation with existing codes,
programming of test codes and data analysis of equilibrium and non-equilibrium
properties, but also theoretical derivation of equilibrium and transport properties of
the model systems. Consequently, a strong foundation in fluid mechanics and
applied mathematics is desirable.


• Full time researcher contract
29/09/2020 Call for Vacancy FURV
• Location: Campus of Sescelades (map) - Department: Department of
Chemical Engineering
• Duration: 1 year, with a possibility for an extension to 2 years
• Salary: 35.000 €/year (gross salary)
• Incorporation:15/11/2020


This post is expected to last for 12 months, ideally starting on the 15th of November 2020
or shortly thereafter subject to agreement. The position will be based at the Department of
Chemical Engineering of the URV in Tarragona (Sescelades campus). Tarragona is a city
on the Mediterranean coast, 90 km south of Barcelona, famous for its beaches, excellent
wines and gastronomy as well as for its Roman remains. In addition, the URV is located
close to the largest petrochemical site in the South of Europe.


To apply, please prepare a CV, including the names, phone numbers and email addresses
of two people willing to give an academic reference.

Follow the link and locate the
position with reference: C-2020/045

A pdf copy of the CV should be uploaded to the link Enviar CV before the closing date (see
below for detailed instructions)

Date posted: 15 September 2020
Closing date: 30 October 2020

During the evaluation process you may be contacted for an interview and asked to produce
any required document to assess your adequacy for the position.
For informal enquiries about the post, please contact: Professor Josep Bonet Avalos

Should you have any queries about the application process, please contact

In your application, please refer to


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