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Ana Lilian Montero Alejo

Associate professor

Universidad Tecnológica Metropolitana

Santiago, Chile

Líneas de Investigación


Atomic scale computational simulation. Modeling of surfaces and interfaces. Applications in solar cell, battery, and membrane technologies.

Educación

  •  BS in Chemistry, UNIVERSIDAD DE LA HABANA. Cuba, 2002
  •  PhD in Chemistry, UNIVERSIDAD DE LA HABANA. Cuba, 2011
  •  PhD in Chemistry, UNIVERSIDAD AUTÓNOMA DE MADRID. España, 2011

Experiencia Académica

  •   Internship Full Time

    UNIVERSIDAD DE LA HABANA

    Faculty of Chemistry

    La Habana, Cuba

    2003 - 2004

  •   Instructor Full Time

    UNIVERSIDAD DE LA HABANA

    Faculty of Chemistry

    La Habana, Cuba

    2004 - 2008

  •   Assistant Professor Full Time

    UNIVERSIDAD DE LA HABANA

    Faculty of Chemistry

    La Habana, Chile

    2008 - 2014

  •   professor Part Time

    UNIVERSIDAD SAN SEBASTIÁN

    Faculty of Engineering and Technology

    Santiago, Chile

    2018 - 2018

  •   Associate professor Full Time

    UNIVERSIDAD TECNOLÓGICA METROPOLITANA

    Faculty of Natural Sciences, Mathematics and Environment

    Santiago, Chile

    2018 - A la fecha

Experiencia Profesional

  •   Post-doctorado (FONDECYT) Full Time

    Universidad de Chile

    Santiago, Chile

    2015 - 2018

Formación de Capital Humano


Directed thesis:
- 2024: Fidel E. Rodriguez-Gonzalez, PhD in Chemistry, Estudio de las propiedades de transporte de gases a través de membranas de polímeros de microporosidad intrínseca que contienen unidades de aril-ftalimidas. Facultad de Química y Farmacia, Pontificia Universidad Católica de Chile, Chile.
- 2023: María José Silva, Bachelor in science (B. Sc.), Chemistry. Composición favorable de la superficie de perovskita mezcla [FA, Cs]PbI3 para su aplicación en celdas solares. Facultad de Ciencias Naturales, Matemática, y del Medio Ambiente, Universidad Tecnológica Metropolitana, Chile.
- 2022: Claudia Delzon Lizana, Msc. Tecnología Nuclear. Modelamiento de superficies de perovskita MAPbI3 mediante cálculos cuánticos con el método Tight-Binding xTB. Magíster en Tecnología Nuclear, Universidad tecnológica Metropolitana, Chile.
- 2021: Javiera Ubeda. Chemical Engineer. Propiedades de mezclas de perovskitas FAPbI3 para celdas solares eficientes. Facultad de Ciencias Naturales, Matemática, y del Medio Ambiente, Universidad Tecnológica Metropolitana, Chile.
- 2018-2019: Felipe H. Barría Caceres. Bachelor in science (B. Sc.) Chemistry. Modelación de la interacción de fullerenos modificados con superficie de perovskita híbrida. Facultad de ciencias, Universidad de Chile.
- 2016: Gabriel J. Olguín-Orellana. Diploma thesis. Diseño de una nueva metodología para simular el proceso de adsorción del anticuerpo inmunoglobulina g1 sobre una superficie sólida de caolinita, utilizando técnicas de dinámica molecular atomísticas. Escuela de Ingeniería en Bioinformática, Facultad de Ingeniería, Universidad de Talca.
- 2015: Roy González Alemán. Bachelor in science (B. Sc.) Chemistry. Efecto de sustituyentes en la conformación de la unidad repetida del serotipo 18C de Streptococcus pneumoniae; Theoretical and Computational Chemistry Laboratory, Faculty of Chemistry, University of Havana.
- 2014: Carlos Enriquez Victorero. MS in Chemistry. Influencia de los grupos superficiales del carbón activado sobre la adsorción de contaminantes orgánicos persistentes; Instituto Superior de Tecnología y Ciencias Aplicadas, La Habana & Theoretical and Computational Chemistry Laboratory, Faculty of Chemistry, University of Havana.
- 2013: Gabriela Sánchez Díaz. Bachelor in science (B. Sc.) Chemistry. Propiedades electrónicas de nanotubos de carbono dopados con oxígeno; Theoretical and Computational Chemistry Laboratory, Faculty of Chemistry, University of Havana.
- 2011: Mónica Angels Valentín Rodríguez. Bachelor in science (B. Sc.) Chemistry. Fenómenos de Transferencia de carga asociados a la coloración de soluciones de monómeros furánicos; Theoretical and Computational Chemistry Laboratory, Faculty of Chemistry, University of Havana.



 

Article (31)

Alloy [FA,Cs]PbI<sub>3</sub> perovskite surfaces: The role of surface cesium composition in stability and tolerance to defect formation
Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
Effective Interfaces between Fullerene Derivatives and CH3NH3PbI3 to Improve Perovskite Solar Cell Performance
Polymers of intrinsic microporosity containing aryl-phthalimide moieties: synthesis, modeling, and membrane gas transport properties
On the CN − ⋯K coordination modes in Kn[M 6−n (CN)6]· xH2O: first evidence of CN − ⋯K electron-deficient bonding
Atomic-Scale Model and Electronic Structure of Cu2O/CH3NH3PbI3 Interfaces in Perovskite Solar Cells
Methodological Issues in First-Principle Calculations of CH3NH3PbI3 Perovskite Surfaces: Quantum Confinement and Thermal Motion
Multi‐scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins
A study of the cis-trans isomerization preference of N-alkylated peptides containing phosphorus in the side chain and backbone
Symmetry and thermodynamics of tellurium vacancies in cadmium telluride
Influence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: a first-principles insight
Ferroelectric Domains May Lead to Two-Dimensional Confinement of Holes, but not of Electrons, in CH3NH3PbI3 Perovskite
Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase
Similarity measures between excited singlet and triplet electron densities in linear acenes: an application to singlet fission
Theoretical study of chlordecone and surface groups interaction in an activated carbon model under acidic and neutral conditions
Sulfur dimers adsorbed on Au(111) as building blocks for sulfur octomers formation: A density functional study
The absorption spectrum of C-60 in n-hexane solution revisited: Fitted experiment and TDDFT/PCM calculations
Theoretical study of gamma-hexachlorocyclohexane and beta-hexachlorocyclohexane isomers interaction with surface groups of activated carbon model
Electron Density Deformations Provide New Insights into the Spectral Shift of Rhodopsins
Electronic excitations of C-60 aggregates
Improved synthesis of the chrysomelid pheromone (6R,7S)-(+)-himachala-9,11-diene via spontaneous bromination and didehydrobromination of 2,6,6,9-tetramethyl-bicyclo[5.4.0]undec-8-ene
Ultrathin Carbon Nanotube With Single, Double, and Triple Bonds
Understanding Rhodopsin Mutations Linked to the Retinitis pigmentosa Disease: a QM/MM and DFT/MRCI Study
Coulomb and Exchange contributions to electronic excitations of benzene aggregates
Approximate quantum mechanical method for describing excitations and related properties of finite single-walled carbon nanotubes
A computational approach to the synthesis of 1,3,5-thiadiazinane-2-thiones in aqueous medium: theoretical evidence for water-promoted heterocyclization
Quantum mechanical model for Maya Blue
CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine
Synthesis of 5-acetoxymethyl- and 5-hydroxymethyl-2-vinylfuran
Ab initio modelling of crosslinking in polymers. A case of chains with furan rings
Pyrrole nanoscaled electropolymerization - Effect of the proton

BookSection (1)

Electronic structure of photovoltaic perovskites: the case of CH3NH3PbI3

ConferencePaper (1)

Electron transition energies of single-walled carbon nanotubes: Hartree - Fock's CNDOL approaches for describing excitations and related properties

Proyecto (5)

PROPERTIES OF SOLID SOLUTIONS OF HYBRID PEROVSKITES FOR HIGH PERFORMANCE SOLAR CELLS=> COMPUTATIONAL SIMULATION AT ATOMIC SCALE
Study and improvement of high efficiency photovoltaic materials with atomic-scale quantum calculations
PROPIEDADES DE PEROVSKITAS H�BRIDAS PARA CELDAS SOLARES=> SIMULACIÓN COMPUTACIONAL A ESCALA ATÓMICA
Cálculo de estados excitados en grandes sistemas moleculares mediante el Hamiltoniano CNDOL=> Estudio del proceso de visión
Virtual Center of Bioinformatics, Scientific Education and Creation
33
Ana Montero

Associate professor

Department of Physics

Universidad Tecnológica Metropolitana

Santiago, Chile

9
Eduardo Menendez

Associate Professor

Physics Department

DPTO DE FISICA, FACULTAD DE CIENCIAS, UNIVERSIDAD DE CHILE

Santiago, Chile

3
Erix Hernández

Full Professor/Departamento de Medicina Traslacional, Académico-Investigador

Departamento de Medicina Traslacional

Universidad Católica del Maule

Talca, Chile

2
Mauricio Flores

Investigador

de Física

Grupo de Nanomateriales, Universidad de Chile

Santiago, Chile

1
Julio Caballero

Full Professor

Departamento de Bioinformática

Universidad de Talca

Talca, Chile

1
Francisco Muñoz

Profesor Asociado

Departamento de Química Orgánica

Universidad de Concepción

Concepción, Chile

1
Julio Belmar

Académico

Química Orgánica

UNIVERSIDAD DE CONCEPCION

CONCEPCION, Chile

1
Claudio Jimenez

Associate Professor

Organic Chemistry

UNIVERSIDAD DE CONCEPCIÓN, FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

1
José Velázquez

Académico Investigador de la Planta no Regular

Ingeniería Civil en Bioinformática

Universidad de Talca

Talca, Chile

1
Walter Orellana

Associate Professor

Physical Science

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

1
Nestor Escalona

Professor Associated

Chemical Engineering and Bioprocesses

Pontificia Universidad Católica de Chile

Santiago, Chile