Expression of Interest

Contact Person/Scientist in Charge

  • Name and surname: José Campos Martínez
  • Email: j.camposSPAMFILTER@csic.es

Instituto de Física Fundamental (IFF) - CSIC

Department / Institute / Centre

  • Name: INSTITUTO DE FÍSICA FUNDAMENTAL. CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS
  • Address: Calle de Serrano 123
  • Province: Madrid

Research Area

  • Chemistry (CHE)
  • Environmental Sciences and Geology (ENV)
  • Physics (PHY)

Brief description of the institution:

The Spanish National Research Council (CSIC) is the largest public institution dedicated to research in Spain and the third most important research center in Europe according to performance indicators. It has a staff of more than 135000 employees, among these about 3,300 are permanent researchers and about 4,300 are pre- and post-doctoral researchers. The CSIC has 70 fully own institutes or centers distributed throughout Spain, together with 52 joint research units with different universities. There is also a delegation in Brussels and Rome. CSIC has considerable experience in both participating and managing R&D projects and training of research personnel. Under the 7th Framework Programme CSIC has signed approximately 700 actions. During the first calls of H2020, CSIC has had an intense participation in all programmes.

The Institute of Fundamental Physics (IFF) is very well located at the Campus of Serrano where the CSIC central administration is found as well as different research institutes. IFF is small Institute with researchers with a very wide experience in different lines such as: Molecular Astrophysics, Quantum Sciences and Technologies, Medical Physics (Biophysics), Complex Molecular Systems and Molecular Processeses at Interphases. These research lines are financed by different national and international projects as well as European networks.

Brief description of the Centre/Research Group (including URL if applicable):

The Spanish National Research Council (CSIC) is the largest public institution dedicated to research in Spain and the third most important research center in Europe according to performance indicators. The CSIC has 70 fully owned institutes or centres distributed throughout Spain, together with 52 joint research units with different universities. There is also a delegation in Brussels and Rome. CSIC has considerable experience inboth participating and managing R&D projects and training of research personnel. Under the 7th Framework Programme CSIC has signed approximately 700 actions. During the first calls of H2020, CSIC has had an intense participation in all programmes.

The Institute for Fundamental Physics was established in 1992 as a unique research center within the CSIC combining researchers in physics and mathematics. Since then, there has been many changes in research group structre but with a goal centered along lines in basic research. Today there are several groups which in general terms are devoted either to some aspect of molecular physics and physics at the nanoscale or to quantum information and quantum technologies.

The activity of the group of Molecular interactions (INTERMOL), in the last years, has been focused in two main areas, the outcome of collisions between atoms and molecules of interest in astrophysical studies within a quantum methodology, and the research and development of novel carbonaceous materials for their use as nanofilter devices and molecular storage and release materials.

Group Web page: http://intermol.iff.csic.es

Project description:

In the last years novel porous materials deriving from graphene have been successfully synthesized and they have been proposed as promising ideal membranes for gas filtration and water purification. Among them we highlight γ-graphynes, which have been recently obtained through a polymerization approach and featuring a one-atom thick layer with regular sub-nanometer pores uniformly distributed on the surface.
In this project we aim to study and develop computational tools and techniques to obtain reliable force fields for the interaction between simple molecules and surfaces composed of mono(multi) layers of γ-graphynes [1,2] and related materials. The possible use of these materials for molecular sieving and molecular storage would be the next research step in the project.
As for the molecular species, the focus will be mainly on Helium and the possibility offered bythese nanoporous materials in the isotopic separation. In the case of storage we plan to study H2 and optimal structures leading to trapping and release for this energy vector.
The approach to the specific problem will include the analytical representation of the obtained force fields by using simple analytical formulas which improve the classical Lennard-Jones scheme. After that, dynamical processes will be studied firstly within the usual molecular dynamics simulations but with special emphasis in the possible influence of quantum effects for what we will rely on quantum wave packet techniques and transition state theory [3]. The use of Monte Carlo techniques will be also possibly needed.
[1] M. Bartolomei et al., J. Phys. Chem. C, 118, 29966 (2014).

[2] M. Bartolomei, G. Giorgi. ACS Appl. Mater & Interfaces 8, 27996 (2016).
[3] M. I. Hernández et al. J. Phys. Chem. C., 121, 19751(2017)

Applications

Candidates are requested to send a full curriculum vitae and a letter of presentation to Dr. José Campos-Martínez (j.campos.martinez@csic.es).

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