Química Computacional
Computational Chemistry
Molecular Simulation Research Group
About Us: Carlos Vega, Eduardo Sanz, Jose Luis F. Abascal, Francisco Gámez, Samuel Blázquez, Lucía Fernández-Sedano, Miguel Camarillo
What we do: Phase equilibrium of ices and hydrates, Development of electrolyte force fields, Homogeneous and heterogeneous nucleation, Study of thermodynamic properties
Simulation of Complex Systems Research Group
About Us: Ana Mª Rubio Caparrós, Antonio Rey Gayo
What we do: Polymer and protein simulations, Methodological developments in simulation, Protein folding: thermodynamic and kinetic aspects, Protein aggregation
Interfacial Simulation Research Group
About Us: Luis G. MacDowell, Lukasz Baran, Qiangqian Sun
What we do: Ice interfaces, Crystal growth, Friction and tribology, Intermolecular forces, Soft surfaces
Biomolecular Simulation Research Group
About Us: Jorge Reñé Espinosa, Andrés Tejedor Reyes, Ignacio Sánchez Burgos, Francisco Gámez Márquez, Juan Luengo Márquez, Amrita Goswami, Moritz Sallermann, Caja Annweiler, Alejandro Feito Rojo, Eduardo Pedraza Granado, Nuria Hernández Espejo, Alejandro Castro Alonso, Raúl Hernández del Valle, Álvaro Bueso Higueras, Estefanía Cuesta Toscano
What we do: Molecular dynamics simulations, Atomistic and coarse-grained models of proteins and nucleic acids, Machine-learning predictors of protein phase behavior, Formulation of active compounds