Professor Escobedo's research group is at the forefront of contributors to novel methods for the simulation of both thermodynamic data (like free-energies and microstructure) and kinetic information (like transition mechanisms and rate constants) from molecular-level models of complex materials. ...
Professor Escobedo's research group is at the forefront of contributors to novel methods for the simulation of both thermodynamic data (like free-energies and microstructure) and kinetic information (like transition mechanisms and rate constants) from molecular-level models of complex materials. His current interests center on establishing structure-property relationships for polymeric and colloidal materials. The ultimate goal of generating such new fundamental knowledge is to improve the engineering of materials of desirable or "super" properties that originate in the creation of special types of structural order or the control of phase transitions. Most the work has focused on elucidating the role played by entropy as an important (and often overlooked) force that can be harnessed to help create materials with desirable properties. Entropic forces are often crucial in the formation of materials whose molecular order is intermediate between crystals (having perfect order and reduced entropy) and liquids (having high degree of disorder and high entropy), such as liquid crystals, plastic solids, elastomers, gels, microsegregated phases of block copolymers, and biomolecules with order domains like proteins. Such intermediate order is often manifested in the form of phases with novel structures and a combination of physical properties not observed in common materials. These mesophases are hence attractive for such new uses as nanoporous materials for active layers in solar cells, battery electrodes, membranes for ultra-filtration, light amplifiers and optic guides for lasers, liquid armor, plastics of high elasticity and toughness, and new therapeutic antibodies.