Dr. Andres Ortega-Guerrero

Postdoctoral Researcher

Andres Ortega-Guerrero is an Electronics Engineer (Universidad del Valle, Colombia) with an Erasmus Mundus Master in Nanoscience and Nanotechnology from KU Leuven (Belgium) and TU Dresden(Germany). He obtained his Ph.D. in Chemistry and Chemical engineering at the Swiss Federal Institute of Technology in Lausanne (EPFL) Switzerland in 2021 under the supervision of Prof. Berend Smit at the Laboratory of Molecular Simulation (LSMO). During his Ph.D., he worked on the computational description of electronic and optical properties for photocatalytic applications in Metal-Organic Frameworks using DFT and TD-DFT methods. After the completion of his Ph.D., Andres continued working with Prof. Smit as a Postdoctoral researcher for one year. The research focused on applying DFT methods for the study of electronic properties like electron mobility and dielectric properties of Metal-Organic Frameworks and Covalent-Organic Frameworks. 

Andres joined the atomistic simulations group at Empa in November 2022 and is currently developing methods for the study of magnetic properties for graphene nanoribbons and 2D materials with spin-orbit coupling.

Fields of interest
Quantum chemistry materials simulations; Optoelectronic and magnetic properties of materials
Selected publications

Insights into the Electronic Properties and Charge Transfer Mechanism of a Porphyrin Ruthenium-Based Metal–Organic Framework
A. Ortega-Guerrero, M. Fumanal, G. Capano, I. Tavernelli, B. Smit
Chem. Mater. 32(10), 4194-4204 (2020). DOI: 10.1021/acs.chemmater.0c00356

Charge Separation and Charge Carrier Mobility in Photocatalytic Metal-Organic Frameworks
M. Fumanal, A. Ortega-Guerrero, K.M. Jablonka, B. Smit, I. Tavernelli
Adv. Funct. Mater. 30, 2003792 (2020). DOI: 10.1002/adfm.202003792

Multiscale Modeling Strategy of 2D Covalent Organic Frameworks Confined at an Air-Water Interface
A. Ortega-Guerrero, H. Sahabudeen, A. Croy, A. Dianat, R. Dong, X. Feng, G. Cuniberti
ACS Appl. Mater. Interfaces 13(22), 26411-26420 (2021). DOI: 10.1021/acsami.1c05967

From Isolated Porphyrin Ligands to Periodic Al-PMOF: A Comparative Study of the Optical Properties Using DFT/TDDFT
A. Ortega-Guerrero, M. Fumanal, G. Capano, B. Smit
J. Phys. Chem. C 124(39), 21751-21760 (2020). DOI: 10.1021/acs.jpcc.0c06885