UoC crest

José María Escartín Esteban

José María Escartín

I am a Research Associate in the group of Prof. Mike Payne and a Bye-Fellow of Queens' College.


My research involves the study of a variety of many-body quantum systems, mostly displaying electronic degrees of freedom, using a number of techniques and numerical methods.

At the moment, I am interested in the study from first principles of doped semiconductor nanocrystals. In order to accurately describe these systems, which may have thousands of atoms, we use and develop ONETEP, a linear-scaling code for quantum-mechanical calculations based on density-functional theory. During my appointment I will work on both methodological and computational developments of ONETEP, mainly and respectively the inclusion of spin-orbit effects and the porting of the code to general-purpose graphical processing units.

Besides, I am collaborating with my previous research group on the first implementation of Time-Dependent Current-Density Functional Theory (TDCDFT) in real time and three spatial dimensions.

Contact details

Dr. José María Escartín Esteban
Theory of Condensed Matter group
Cavendish Laboratory, University of Cambridge
19, JJ Thomson Avenue
Cambridge, CB3 0HE
United Kingdom

Office: room 514, Mott Building, Cavendish Laboratory
Email: add jme52 in front of
Phone: +44 (0)1223 337278