Dr. Alejandro Perez Paz

Post-doc funded by "Ayuda para la Especialización de Personal Investigador del Vicerrectorado de Investigación UPV/EHU-2013"

Alejandro Perez Paz's picture
Email
alejandro [dot] perez [at] ehu [dot] es
Country
Spain
Phone
+34-(943) 01 8554
Fax
+34-(943) 01 8390
Current position
Postdoctoral Researcher
Address
Centro Joxe Mari Korta, Avenida de Tolosa 72, 2nd floor. Donostia - San Sebastián, 20018 Spain.

Research Information

Research Overview

I am interested in the following research topics:

(1) Identification of two-level systems in amorphous alumina. See a
metadynamics simulation of a bistable motif that behaves as a TLS in Al2O3 glass at 5 K (oxygen [aluminum] atoms are the red or magenta [grey] spheres). Click here for a short summary and here for an illustrative figure. Click here for more details.
(2) Hydrogen-bonded liquids: structure and dynamics. Confined water in carbon nanotubes: optics and dynamics.
(3) Path integrals in quantum mechanics:
development of novel algorithms and applications to complex systems.
(4) Molecular pseudo-potential theory.
(5) Novel integrators for molecular dynamics.
(6) Methods to compute free energy differences in complex systems (umbrella sampling, metadynamics, blue-moon ensemble, lambda dynamics, etc).
(7) Algorithms in quantum chemistry to describe electronic correlation.
(8) Phase transitions and nucleation theory in bulk systems.
(9) Thermal conductivity of carbon nanotubes.
(10) Applications of compressed-sensing to chemistry
(11) Electronic properties of wet metal surfaces. Reactivity of organic molecules on metal surfaces. STM and AFM simulation.

Related Research Areas

Latest publications

Revealing the adsorption mechanisms of nitroxides on ultra-pure, metallicity-sorted carbon nanotubes
Georgina Ruiz-Soria, Alejandro Pérez Paz, Markus Sauer, Duncan J. Mowbray, Paolo Lacovig, Matteo Dalmiglio, Silvano Lizzit, Kazuhiro Yanagi, Angel Rubio, Andrea Goldoni, Paola Ayala, Thomas Pichler
ACS Nano 8, 1375 - 1383 (2014)
Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperatures
Alejandro Pérez Paz, Irina V. Lebedeva, Ilya V. Tokatly, Angel Rubio
Physical Review B 90, 224202 (2014)