Members and Collaborators

AbinitSim is the acronym of María Pilar de Lara-Castells' group. At present, the activities of this group are being developed within the framework of the national project with acronym NANOABINIT "Multiscale ab-initio Modelling of Quantum Fluids and Molecular Processes at the Nanoscale". The team involved in this national project includes Carlos Cabrillo and Ricardo Fernández-Perea, from the Instituto de Estructura de la Materia (CSIC) in Madrid. Within the framework of the EU COST Action "MOLIM" (Molecules in Motion), we collaborate with several groups. Nowadays, a strong collaboration is kept with Alexander O. Mitrushchenkov (Université Paris-Est) and Andreas W. Hauser (Graz University of Technology). Within the framework of the project "Helium Droplet-Mediated Deposition of Metallic Nanoparticles", we are collaborating with Andrey Vilesov (University of Southern California) and Martí Pi (University of Barcelona).


María Pilar de Lara-Castells, Institute of Fundamental Physics, CSIC. Madrid.

Former Members (Ph.D. Students)

Néstor F. Aguirre Castiblanco (at present in Los Alamos National Laboratory - USA)

David López Durán


Consejo Superior de Investigaciones Científicas, Spain                                                                                                                                                       

Pablo Villarreal-Herrán and Gerardo Delgado-Barrio, Institute of Fundamental Physics, Department of Atomic, Molecular, and Cluster Physics (CSIC). Madrid.

Université Paris-Est, France                                                     

Alexander O. Mitrushchenkov, Laboratoire de Modélisation et Simulation Multi Echelle, Université Paris-Est of Marne-la-Vallée, París.

University of Barcelona, Spain. 

Marti Pi, Departamento de Estructura y Constituyentes de la Materia, Universtat de Barcelona, Spain.

Manuel Barranco, Departamento de Estructura y Constituyentes de la Materia, Universtat de Barcelona, Spain.

Universität Stuttgart, Germany

Hermann Stoll,Institut für Theoretische Chemie, Universität Stuttgart

Universidad Autónoma de Madrid, Spain       

José Ortega, Department of Theoretical Condesed Matter Physics, Universidad Autónoma de Madrid, Spain.

Néstor F. Aguirre Castiblanco (former group member), Department of Chemistry, Universidad Autónoma de Madrid, Spain.

University of Graz   

Andreas W. Hauser, Institute of Experimental Physics, Graz University of Technology, Graz, Austria.


Wake Forest University, USA 

Akbar Salam, Department of Chemistry, Wake Forest University (USA).


Universidad Nacional de Colombia, Colombia   

Andrés Reyes, Quantum and Computational Chemistry Group, Universidad Nacional de Colombia.