Ab-initio simulations of confined molecular systems and photo-dissociation dynamics (ABINITFOT)

Ab-initio simulations of confined molecular systems and photo-dissociation dynamics (ABINITFOT)


Our research is aimed 1) at developing state-of-the-art ab-initio modelling for confined molecular systems, including: a) the stability and properties of new-generation metal and metal-oxide clusters (surface-supported and unsupported in air or solution) down to the subnanometer scale; b) quantum nuclear effects and delocalization in fluid clusters at low temperatures (e.g., helium nanodroplets) as well as quantum confinement effects in atomic and molecular clusters in nanostructures (e.g., carbon nanotubes); 2) at studying a) the dynamics of photodissociation processes in molecules and molec

Main specialization

Molecular Clusters in gas and liquid phases (MolClu)

Molecular Clusters in gas and liquid phases (MolClu)


Our research group contributes in development of theoretical approaches, far beyond simplified models, and the design of specific computational tools to address efficiently real problems of physicochemical interest in the field that links science to technology and innovation. The main goal is the detailed understanding of a variety of molecular processes through quantum dynamics simulations. Our investigation focuses on the study of reactive collisions, large helium clusters doped with impurities, quantum molecular processes in nanoconfined systems and hydration effects in aqueous solutions.

Main specialization

Energy Processes and Emissions Reduction

Energy Processes and Emissions Reduction


The research carried out by the group is included in one of the main research lines of INCAR, such as the decarbonization of industrial sectors.

Main specialization

Quantum Information and Foundations Group (QUINFOG)

Quantum Information and Foundations Group (QUINFOG)


QUINFOG, a group in the intersection between MATTER and SOCIETY due to our work in information technologies, is one of CSIC's international referents in the field of quantum technologies. The group works on fundamental, applied and industry oriented research: from quantum information to the design of hardware for quantum technologies and its applications in quantum computing (in collaboration with companies such as BBVA, GMV, or our startup Inspiration-Q), including the exploration of industrial applications.

Main specialization

Economics

Economics


theoretical and applied research in various areas including industrial organization, finance, regional economics, political economy, macroeconomics, growth, public economics, game theory, experimental economics, labor economics. The contents of most of our research are contained in the global area of Society.

Main specialization

NMR and Molecular recognition

NMR and Molecular recognition


The NMR and molecular recognition (NMR) group began at the CIB in 2003 with the incorporation of Drs Jesús Jiménez Barbero and Fco. Javier Cañada to the CIB. In November 2014, Dr. Jiménez Barbero moved as Scientific Director to CICbioGune in Bilbao, leaving Dr.

Main specialization

Energy metabolism and drug development

Energy metabolism and drug development


Energy metabolism is essential for the maintenance of cellular functions, thus, a drug target to treat a variety of pathologies.

Main specialization

Structure and function of cytoskeleton. Pharmacology and Vaccines.

Structure and function of cytoskeleton. Pharmacology and Vaccines.


The pharmacological regulation of the cytoskeleton has been crucial in the development of cancer treatments and currently, it is considered a novel therapeutic target to fight several human diseases, including neurodegenerative diseases and infections. Our challenge is to develop new strategies to fight main human diseases, focusing on finding novel therapeutic targets and drugs candidates within the cell cytoskeleton with improved efficacy and less side effects.

Main specialization

Structural Biology of Proteins

Structural Biology of Proteins


Our group has long-standing experience in the structural characterization of bacterial virulence factors and in proteins implied in antibiotic resistance. The two major research lines of the group are: (i) the molecular basis of Acinetobacter baumannii infection, a life-threatening pathogen, and (ii) the mechanism of carbohydrate recognition by lectins, which have been shown to be involved in cancer development. For this, we use X-ray crystallography and cryo-electron microscopy in conjunction with other biophysical and biochemical techniques to accomplish our goal.

Main specialization

Structural Biology of Host-Pathogen Interactions

Structural Biology of Host-Pathogen Interactions


The main goal of the ‘Structural Biology of Host-Pathogen Interactions’ group is the study of protein-protein and protein-small molecule interactions that vehicle the communication between the human host and the microbiota and the complement system and bacterial pathogens. To this end we use methods that range from recombinant protein and protein complex production technologies to X-ray diffraction and biochemical and biophysical characterization methods.

Main specialization