Dr. Iris Theophilou

MPSD Members (Hamburg) (Max Planck Institute for the Structure and Dynamics of Matter)

iris [dot] theophilou [at] mpsd [dot] mpg [dot] de

Latest publications

Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory
Iris Theophilou, Nektarios N. Lathiotakis, Nicole Helbig
Journal Of Chemical Theory And Computation 12, 2668 - 2678 (2016)
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David A. Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques, Ángel Rubio
Physical Chemistry Chemical Physics 17, 31371-31396 - 31396 (2015)