Facultat de Química (UB) (coordination)

Departament de Ciència de Materials i Química Física

  • Biophysicalchemistry of Macromolecules and Colloids (BioPhysChem)

Macromolecular Crowding; Reaction-Diffusion Processes in Gels and Intracellular Media; Macromolecular Complexation; Polyelectrolytes; Soft Nanoparticles; Colloids; Monte Carlo, Molecular Dynamics; Brownian Dynamics

  • Molecular Dynamics of Biomembranes

Biophysics, Cell Membrane, Cell Signaling, Molecular Dynamics

  • Molecular Materials Structure Group

Molecular magnetism, Crystal packing, Spin transitions, Phase transitions, Bistability

  • Reaction Dynamics Group

Quantum Dynamics, Reactivity, Molecular Dynamics, Gas storage

  • Surface Chemistry and Catalysis

Departament de Química Inorgànica i Química Orgànica

  • Quantum simulation of biological processes

Quantum mechanics/molecular mechanics (QM/MM), Ab initio molecular dynamics, Enhanced-sampling, Glycobiology, Enzyme catalysis

Facultat de Física (UB)

Departament de Física de la Matèria Condensada

  • Group of Statistical Physics

Nonequilibrium Statistical Mechanics; Physics of Viruses; Water and Anomalous Liquids; Radiative energy exchange at the nanoscale; Irreversible deformation below the microscale

  • Soft Matter Physics Group

Mesoscopic modeling, nonequilibrium statistical physics, active matter, granular fluids, complex fluids

  • Materials: phase transitions and multiscale systems

Structural and magnetic transitions in materials, caloric and multicaloric effects, hysteresis, metastability and avalanche response.

Spatio temporal order in biophysical systems under fluctuations

Facultat de Biologia (UB)

Departament de Bioquímica i Biomedicina Molecular

  • Integrative Systems Biology, Metabolomics and Cancer

Departament de Física (UPC)

Facultat de Informàtica (FIB)

  • Barcelona Quantum Monte Carlo Group

Our goal is the study of quantum fluids and solids using an ab initio approach based on Quantum Monte Carlo methods. We work on the development of new algortithms for simulation of fully quantum systems and apply these methods to a variety of systems, ranging from dilute cold Bose and Fermi gases to more strongly correlated systems, such as Helium and molecular Hydrogen.

  • Computer Simulation in Condensed Matter Research Group (SIMCON)

Molecular Liquids and Solutions, Quantum Matter, Complex Networks, Molecular Dynamics, Quantum Monte Carlo

Escola Politècnica Superior d’Edificació (EPSEB)

  • Non-Linear Physics and Out of Equilibrium (NOLIN)

Cell Biophysics; Computational neuroscience; Complex fluids; Chemical reaction-diffusion systems; Superconductivity

Departament d’Enginyeria Química  (UPC)

Escola Tècnica Superior d’Enginyeria Industrial (ETSEIB)

  • Molecular and Industrial Biotechnology group (GBMI)

Escola d’Enginyeria de Barcelona Est (EEBE)

  • Innovative Materials and Molecular Engineering (IMEM)

Nanostructures and nanodevices based upon synthetic and natural polymers. Ab initio and classical simulation and modeling. Development and applications of hybrid QM/MM-MD methodology.

Institut de Química Avançada de Catalunya (IQAC-CSIC)

Departament de Química Biològica i Modelització Molecular

  • Theoretical and Computational Chemistry

Protein Dynamics; Intrinsically Disordered Proteins; Enzyme Catalysis; Atmospheric Chemistry; Oxidative Reactions

Institut de Ciència de Materials de Barcelona (ICMAB-CSIC)

Barcelona Supercomputing Center (BSC)

  • EAPM: Atomic and Electronic Protein Modelling

QM/MM and Monte Carlo studies of complex biochemical processes. We center on enzyme engineering and substrate/drug binding.