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

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

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

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, Pablo Llombart González, Javier Oller Iscar,  Alejandro Feito Rojo, Eduardo Pedraza Granado, Nuria Hernández Espejo, Alejandro Castro Alonso, Lucia Ilkovikova.

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