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Tatiana María Gómez Cano

Assistant Proffesor

UNIVERSIDAD AUTÓNOMA DE CHILE

SANTIAGO, Chile

Líneas de Investigación


Computational methods to investigate the bulk, surface, and nanoscale properties of a broad class of solid materials, such metal transition carbides and metal oxides, with applications in heterogeneous catalysts and energy

Educación

  •  Molecular Physical Chemistry, UNIVERSIDAD ANDRES BELLO. Chile, 2012
  •  QUIMICA, UNIVERSIDAD DE ANTIOQUIA. Colombia, 2007

Experiencia Académica

  •   Postdoctoral Fellow, Millennium Nucleus P07-006-F Full Time

    UNIVERSIDAD ANDRES BELLO

    CIENCIAS EXACTAS

    Santiago, Chile

    2012 - 2013

  •   Postdoctoral FONDECYT 3130530 Full Time

    UNIVERSIDAD ANDRES BELLO

    CIENCIAS EXACTAS

    Santiago, Chile

    2013 - 2015

  •   Assistant Professor Full Time

    UNIVERSIDAD AUTÓNOMA DE CHILE

    Ingenería

    Santiago, Chile

    2014 - At present

Experiencia Profesional

  •   ASSISTANT PROFESSOR Part Time

    UNIVERSIDAD DE ANTIOQUIA

    MEDELLÍN, Colombia

    2006 - 2007

Formación de Capital Humano


1.- 2018. Co-supervisor of thesis. Master in Chemical Sciences
Student: Andrea Echeverri Cárdenas
Thesis: Deshidrogenación de Borano de Amoniaco: Estudio de Pt4, Au4, Au2Pt2 y Carburos de Metales de transición como posibles catalizadores
Universidad de Antioquia, Medellín, Colombia.

2.- 2022. Thesis supervisor. PhD in Chemistry
Thesis: development and implementation of chemical bond descriptors (based on the density of kinetic energy) in excited states.
Student: Andrea Echeverri Cárdenas
Universidad de Chile, Santiago, Chile

3.- 2024. Co-supervisor of thesis. Master of Science with mention in Physics
Thesis: Development and implementation of conceptual density-functional theory for solid-state
Student: Nicolás Barrera
Universidad de Chile, Santiago, Chile


Difusión y Transferencia


* Member of the American Chemical Society up to 2017.

CONFERENCE & WORKSHOP ORGANIZATION:
* Organizing committee of Workshop on Computational Chemistry and Molecular Spectroscopy, Chile. Versions 2008, 2010, 2012, 2014, 2016 and 2018.
* Organizing committee 2nd, 3rd and 4th International Conference on Material Science. Universidad Austral de Chile, Valdivia. Versions: October 13-16, 2013, October 21-24, 2015, and October 16-19, 2017.
* First Workshop on Energy Conversion and Materials Science, Campus Providencia, Universidad Autónoma de Chile, Av. Pedro de Valdivia 425. May 15–17, 2017.

EDITORIAL LEADERSHIP IN ENERGY AND REVIEWER:
* 2026. Guest Editor, “Applied Energy in Latinoamérica”, AIP Publishing Special Topic - coordinating a peerreviewed collection on Latin American energy research spanning solar cells, hydrogen, energy devices and materials for energy, alongside guest editors from Universidad de Antioquia and UNAM.

* Reviewer: Solar Energy, Journal of Physical Chemistry, Physical Chemistry Chemical Physics, Journal of Computational Chemistry, Polymer, Journal of Molecular Modeling, International Journal of Quantum Chemistry, Journal of Electrochemical Science and Engineering, Journal of Photochemistry & Photobiology, A: Chemistry, Journal of the Chemical Society of Pakistan, and ANID Chile.


Premios y Distinciones

  •   SUMMA CUM LAUDE

    UNIVERSIDAD ANDRES BELLO

    Chile, 2011

    summa cum laude distinction


 

Article (33)

FukuiGrid: A Python code for c-DFT in solid-state chemistry

Barrera, Nicolas F.; Cabezas-Escares, Javiera; Calatayud, Monica; Munoz, Francisco; Gómez, Tatiana; Cardenas, Carlos

Article ISI
COMPUTER PHYSICS COMMUNICATIONS  (2026)

Reactivity of Au2Pt2 clusters supported on TiC (001): Insights into ammonia-borane activation and hydrogen release

Gómez, Tatiana; Echeverri, Andrea; Montoya, Alejandro; Cardenas, Carlos

Article ISI
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY  (2026)

Structure–property relationships in subnanometric transition metal tetramers

Ferraro, Franklin; Cardenas, Carlos; Gómez, Tatiana; Hadad, Cacier

Article
RSC ADVANCES  (2026)

A computational survey of layered mixed phases Mn1-xNixPS3 for water splitting: Modulation of the band gap and the oxygen evolution reaction

Forero-Correa, Nicolas; Aliaga, Carolina; Spodine, Evgenia; Cortes, Catalina; Gómez, Tatiana; Cabezas, Javiera; Munoz, Francisco; Cardenas, Carlos

Article ISI
International Journal of Hydrogen Energy  (2025)

Excited State Aromaticity Unveiled by Electron Localization Function Topology

Echeverri A.; Leyva-Parra L.; Santos J.C.; Gomez T.; Tiznado W.; Cárdenas C.

Article ISI
ChemPhysChem  (2025)

Fukui Function and Fukui Potential for Solid-State Chemistry: Application to Surface Reactivity

Barrera, N; Cabezas-Escares, J.; Munoz F.; Muriel, WA; Gomez T.; Calatayud M.; Cárdenas C.

Article ISI
Journal of Chemical Theory and Computation  (2025)

Preparation of photocatalytic films from recycled high-density polyethylene using black-TiO2 and black-TiO2/Ag nanoparticles towards NOx abatement

Gavilanes; D.; Cataño; F.A.; Gómez; T.; Quiles-Carrillo; L.; Balart; R.; Saavedra; M.; Carbonnel; A.; Herrera; F.; Murillo; H.A.; Zapata; et al.

Article ISI SCOPUS
Journal of Industrial and Engineering Chemistry  (2025)

Exploring the catalytic potential of AuxPt4-x clusters on TiC and ZrC (001) surfaces for hydrogen dissociation

Gómez, Tatiana

Article ISI
 (2024)

On the link between the reaction force constant and conceptual DFT

Chakraborty, Debajit; Gómez, Tatiana; Fuentealba, Patricio

Article ISI
 (2024)

Removal of Mo(VI), Pb(II), and Cu(II) from wastewater using electrospun cellulose acetate/chitosan biopolymer fibers

GOMEZ-CANO, TATIANA MARIA

Article ISI SCOPUS
 (2024)

Formation of H2 on polycyclic aromatic hydrocarbons under conditions of the ISM: an ab initio molecular dynamics study

Barrera, Nicolas F.; Fuentealba, Patricio; Gómez, Tatiana

Article ISI SCOPUS
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY  (2023)

Ligand-dictated cluster core characteristics in Au8Se2 gold selenido. Insights from relativistic DFT

Gomez T.; Munoz-Castro A.

Article ISI SCOPUS
INORGANICA CHIMICA ACTA  (2022)

Mechanical and antimicrobial properties of low-density-polyethylene/MgO nanocomposites

Quintana, Pabla; Seura, Pablo; Benavente, Rosario; Pino, Eduardo; Gómez, Tatiana

Article ISI SCOPUS
POLYMERS FOR ADVANCED TECHNOLOGIES  (2022)

Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles

Miranda-Quintana R.A.; Heidar-Zadeh F.; Fias S.; Chapman A.E.A.; Liu, SB; Morell C.; Gomez T.; Cárdenas C.; Ayers P.W.

Article ISI SCOPUS
FRONTIERS IN CHEMISTRY  (2022)

Links among the Fukui potential, the alchemical hardness and the local hardness of an atom in a molecule

Fuentealba, Pablo

Article ISI SCOPUS
Journal of Computational Chemistry  (2021)

Computing the Fukui Function in Solid-State Chemistry: Application to Alkaline Earth Oxides Bulk and Surfaces

Cerón M.L.

Article SCOPUS
Journal of Physical Chemistry A  (2020)

Mechanical and Antimicrobial Polyethylene Composites with CaO Nanoparticles

Lina M Rivas; Gómez, Tatiana

Article ISI SCOPUS
Polymers  (2020)

Ammonia borane dehydrogenation tendencies using Pt-4, Au-4, and Pt2Au2 clusters as catalysts

Gómez, Tatiana

Article ISI SCOPUS
Molecular Catalysis  (2019)

Electron Localization Function in Excited States: The Case of the Ultrafast Proton Transfer of the Salicylidene Methylamine

Maulen, Boris; Fuentealba, Patricio

Article ISI SCOPUS
Journal of Chemical Theory and Computation  (2019)

Theoretical analysis of the adsorption of ammonia-borane and their dehydrogenation products on the (001) surface of TiC and ZrC

Echeverri A.; Hadad, CZ

Article ISI SCOPUS
SURFACE SCIENCE  (2019)

Exploring the relevance of thiophene rings as bridge unit in acceptor-bridge-donor dyes on self-aggregation and performance in DSSCs

Zarate X.; Saavedra-Torres M.; Schott E.

Article ISI SCOPUS
JOURNAL OF COMPUTATIONAL CHEMISTRY  (2018)

Understanding Chemical Reactivity in Extended Systems: Exploring Models of Chemical Softness in Carbon Nanotubes

Contreras J

Article ISI SCOPUS
ACTA PHYSICO-CHIMICA SINICA  (2018)

Simulation of natural dyes adsorbed on TiO2 for photovoltaic applications

Jaramillo, Franklin; Arratia-P?rez, Ramiro

Article ISI SCOPUS
SOLAR ENERGY  (2017)

Surface on Surface. Survey of the Monolayer Gold-Graphene Interaction from Au-12 and PAH via Relativistic DFT Calculations

Gomez T.; Mendizabal F.; Zagal J.H.

Article ISI SCOPUS
Journal of Physical Chemistry C  (2016)

Imaging the Ultrafast Photoelectron Transfer Process in Alizarin-TiO2

Gomez T.; Hermann, G; Zarate X.; Perez-Torres, JF; Tremblay, JC

Article ISI SCOPUS
MOLECULES  (2015)

Influence of Ag+ on the Magnetic Response of [2.2.2]Paracyclophane: NMR Properties of a Prototypical Organic Host for Cation Binding Based on DFT Calculations

Carey, DM; Gomez T.; Morales-Verdejo C.; Munoz-Castro A.

Article ISI SCOPUS
ChemistryOpen  (2015)

Photocatalytic inhibition of bacteria by TiO2 nanotubes-doped polyethylene composites

Yanez D.; Guerrero, S.; Lieberwirth, I; Gomez T.; Rabagliati, FM

Article ISI SCOPUS
Applied Catalysis A: General  (2015)

Role of the main adsorption modes in the interaction of the dye [COOH-TPP-Zn(II)] on a periodic TiO2 slab exposing a rutile (110) surface in a dye-sentized solar cell

Gómez, Tatiana; Zarate, Ximena; Schott, Eduardo; Arratia?Perez, Ramiro

Article ISI SCOPUS
RSC ADVANCES  (2014)

Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine-Phthalocyanine Complexes

Zarate X.; Schott E.; Gomez T.; Arratia-Perez R.

Article ISI SCOPUS
JOURNAL OF PHYSICAL CHEMISTRY A  (2013)

On the dissociation of molecular hydrogen by Au supported on transition metal carbides: choice of the most active support

Flórez, E; Gomez T.; Rodriguez J.A.; Illas, F

Article ISI SCOPUS
Physical Chemistry Chemical Physics  (2011)

Reactivity of Transition Metals (Pd, Pt, Cu, Ag, Au) toward Molecular Hydrogen Dissociation: Extended Surfaces versus Particles Supported on TiC(001) or Small Is Not Always Better and Large Is Not Always Bad

Gomez T.; Flórez, E; Rodriguez J.A.; Illas, F

Article ISI SCOPUS
Journal of Physical Chemistry C  (2011)

Hydrogenation Reactions on Au/TiC(001): Effects of Au-C Interactions on the Dissociation of H-2

Flórez, E; Gomez T.; Liu P.; Rodriguez J.A.; Illas, F

Article ISI SCOPUS
ChemCatChem  (2010)

Theoretical Analysis of the Adsorption of Late Transition-Metal Atoms on the (001) Surface of Early Transition-Metal Carbides

Gomez T.; Flórez, E; Rodriguez J.A.; Illas, F

Article ISI SCOPUS
Journal of Physical Chemistry C  (2010)

BookSection (1)

The Fukui Function in Extended Systems: Theory and Applications

Echeverry, Andrea; Gómez, Tatiana

BookSection SCOPUS
Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory: Volume 1  (2022)

Errata (1)

Imaging the Ultrafast Photoelectron Transfer Process in Alizarin-TiO2 (vol 20, pg 13830, 2015)

Gomez T.; Hermann, G; Zarate X.; Perez-Torres, JF; Tremblay, JC

Errata ISI SCOPUS
MOLECULES  (2015)

Proyecto (2)

How the Chemical Bond Changes on Excited State Dynamics

Cárdenas Valencia, Carlos

Proyecto
 (0)

Simulations in Dye Sensitized Solar Cells: Electronic Absorption Properties of Organic Dyes Supported on TiO2 (Nanoclusters and Surfaces).



Proyecto
 (0)

1
Alvaro Muñoz

Profesor Titular

Universidad San Sebastián

Santiago, Chile

3
Ramiro Arratia

DIRECTOR DOCTORADO

CIENCIAS QUIMICAS

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

1
José Zagal

Distinguished Professor

Chemistry of Materials

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

1
Sichem Guerrero

Professor

Faculty of Engineering and Applied Sciences

UNIVERSIDAD DE LOS ANDES

Santiago, Chile

2
patricio fuentealba

Profesor Titular

Física

U. DE CHILE, FAC. CIENCIAS, DPTO. FISICA

Santiago, Chile

40
Tatiana Gómez

Assistant Proffesor

Engineering

UNIVERSIDAD AUTÓNOMA DE CHILE

SANTIAGO, Chile

7
Francisco Munoz

Professor

Physics

UNIVERSIDAD DE CHILE, FAC. CIENCIAS, DEPTO FISICA

Santiago, Chile

1
Evgenia Spodine

Full Professor

Química Inorgánica y Analítica

UNIVERSIDAD DE CHILE

Santiago, Chile

1
Eduardo Pino

Acádemico

Ciencias del Ambiente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

1
Sebastián Miranda

Profesor Asistente

Departamento de Ciencias Químicas

UNIVERSIDAD NACIONAL ANDRES BELLO

Santiago, Chile

1
Pablo Reyes

Gestor Tecnológico

Centro de Biotecnologia

Universidad de Concepción

Concepción, Chile

1
María Cerón

Profesor Asociado

Facultad de Ingeniería

Universidad Finis Terrae

Santiago, Chile

16
Carlos Cardenas

Professor

Physics

UNIVERSIDAD DE CHILE

Santiago, Chile

4
Eduardo Schott

Profesor Asociado

Departamento de Química Inorgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

1
Francisco Herrera

profesor asociado

Química de los Materiales

UNIVERSIDAD DE SANTIAGO DE CHILE, USACH

Santiago, Chile

2
Desmond MacLeod-Carey

Associate Professor

Facultad de Ingeniería

Universidad Autónoma de Chile

Santiago, Chile

1
Cesar Morales

Associate Professor

Universidad Bernardo O'Higgins

Santiago, Chile

2
Ximena Zarate

Associate Profesor

Instituto de Ciencias Químicas Aplicadas

Universidad Autónoma de Chile

Santiago, Chile

2
Paula Zapata

Profesora Titular

Ciencias del ambiente

Universidad Santiago de Chile

Santiago, Chile

1
Mario Saavedra

Asistente de Investigacion

Ciencias del Ambiente

Universidad de Santiago de Chile

Santiago, Chile

1
Jonathan Ortiz

Académico

Departamento de Ciencias del Ambiente

Universidad de Santiago de Chile

Santiago, Chile

1
Mauricio Gómez

Investigador

Ingeniería

Universidad de Santiago de Chile

Santiago, Chile

1
Raúl Vallejos

Profesor Docente Asistente

Ciencias

Universidad Adolfo Ibánez

Santiago, Chile

1
Viviana Moreno

Académica

Universidad Arturo Prat

Iquique, Chile

1
DANIEL CANALES

Académico Investigador

Universidad de Las Américas

Santiago, Chile

1
Francesca Sepulveda

1
María Ulloa

Jefe de Laboratorio

Fundación COANIQUEM Avances Tecnológicos

Santiago, Chile

1
Esmeralda Lopez

Docente por horas

Departamento de Ingeniería Geoespacial y Ambiental

Universidad de Santiago de Chile

Santiago, Chile

3
Nicolás Barrera

1
Catalina Cortés

Posdoctorante

Química

Universidad de Chile

Santiago, Chile