Alejandro Pérez Paz, Ph.D.


Dr. Alejandro Pérez Paz was a «Juan de la Cierva-Incorporación» postdoctoral fellow at the University of the Basque Country (UPV/EHU) in Donostia-San Sebastián (Spain), in the “Nano-bio Spectroscopy Group” lead by Prof. Ángel Rubio.

Alejandro obtained his B.S. degree in Chemistry (with a 2-year specialization in Organic Chemistry) from the University of Vigo (Spain) in 2002. In 2005, he earned a M.Sc. degree in Computational Chemistry from the University of Puerto Rico (UPR, Río Piedras campus) under the guidance of Prof. Yasuyuki Ishikawa.

Alejandro holds a M.Phil. (2009) and a Ph.D. (2010) degrees in Theoretical Chemistry from New York University (NYU) under the supervision of Prof. Mark Tuckerman. In New York City, Alejandro studied the role of nuclear quantum effects in model systems via path integrals molecular dynamics. Alejandro was also a visiting student for 4 months (summer 2009) at Sandia National Laboratories in Albuquerque (New Mexico, USA). In 2011, Alejandro delivered a talk at the Institute for Pure and Applied Mathematics (IPAM) at the University of California Los Angeles (UCLA). More recently (June 2016) he contributed a talk at the international workshop «On-Surface Synthesis» about reactivity of enediynes on surface in Donostia-San Sebastián (Spain).

Alejandro is interested in the computer simulation via molecular dynamics/Monte Carlo/electronic structure methods of nano-materials and condensed phases. Lately, he has been working on machine learning, free energy calculations, and reactivity on metal surfaces. Overall, Alejandro has authored a total of 25 papers, including 1 Nature Chemistry, 2 JACS, 2 ACS Nano, and 1 Chemistry of Materials. Alejandro won the Yachay Tech Researcher Award 2018. At Yachay Tech, he was responsible of teaching Statistical Mechanics and Computational Physics, among other courses.


The Roles of Precursor Conformation and Adatoms in Ullmann Coupling: An Inverted Porphyrin on Cu(111)


Journal: Chemistry of Materials

DOI: 10.1021/acs.chemmater.9b00668

Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation


Journal: ACS Nano

DOI: 10.1021/acsnano.7b08887

Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materials


Journal: Nano Research