Néstor F Aguirre

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2020-2020
Publications (10 Years): 3

Top Topics

Density Functional Theory

Electron Transfer

Top Venues

Scientific reports

The journal of physical chemistry. A

Journal of chemical theory and computation

Los Alamos National Laboratory

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Los Alamos National Laboratory Jan 09 2017

United States

Postdoctoral Research Associate :: T-1: PHYSICS AND CHEMISTRY OF MATERIALS

Universidad Autonoma de Madrid Facultad de Ciencias Jan 01 2013 - Dec 31 2016

Spain

Postdoctoral Researcher :: Departamento de Quimica

Publications

Chang Liu, Enrique R Batista, Néstor F Aguirre, Ping Yang, Marc J Cawkwell, Elena Jakubikova
SCC-DFTB Parameters for Fe-C Interactions. The journal of physical chemistry. A 124 (46) (2020)
Sylvain Maclot, Jan Lahl, Jasper Peschel, Hampus Wikmark, Piotr Rudawski, Fabian Brunner, Hélène Coudert-Alteirac, Suvasthika Indrajith, Bernd A Huber, Sergio Diaz-Tendero, Néstor F Aguirre, Patrick Rousseau, Per Johnsson
Dissociation dynamics of the diamondoid adamantane upon photoionization by XUV femtosecond pulses. Scientific reports 10 (1) (2020)
Néstor F Aguirre, Amanda Morgenstern, Marc J Cawkwell, Enrique R Batista, Ping Yang
Development of Density Functional Tight-Binding Parameters Using Relative Energy Fitting and Particle Swarm Optimization. Journal of chemical theory and computation 16 (3) (2020)