Dr. Alejandro Perez Paz
- alejandro [dot] perez [at] ehu [dot] es
- +34-(943) 01 8554
- +34-(943) 01 8390
- Current position
- Postdoctoral Researcher
- Centro Joxe Mari Korta, Avenida de Tolosa 72, 2nd floor.
- Research Overview
I am interested in the following research topics:
(1) Identification of two-level systems in amorphous alumina.
(2) Hydrogen-bonded liquids: structure and dynamics.
Confined water in carbon nanotubes: optics and dynamics.
Electronic properties of wet metal surfaces.
(3) Path integrals in quantum mechanics:
development of novel algorithms & 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.
Related Research Areas
- Supramolecular assembly of diplatinum species through Pt(II)···Pt(II) intermolecular interactions: A combined experimental and computational study.
- A. Perez, L. A. Espinosa-Leal, M.-R. Azani, A. Guijarro, P. J. S. Miguel, G. Givaja, O. Castillo, R. Mas-Ballesté, F. Zamora, A. Rubio.
Chemistry-A European Journal 18, 13787 - 13799 (2012)
- Path integral computation of quantum free energy differences due to alchemical transformations involving mass and potential.
- Alejandro Perez, O. Anatole von Lilienfeld.
Journal Of Chemical Theory And Computation 7, 2358 - 2369 (2011)