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Francisco Javier Munoz Saez

Professor

UNIVERSIDAD DE CHILE, FAC. CIENCIAS, DEPTO FISICA

Santiago, Chile

condensed matter physics; density functional theory; quantum materials; single photon emitters

Physics, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2010
Physics, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2006

Senior Researcher Full Time

Max-Planck-Institut für Mikrostrukturphysik

Halle, Alemania

2012 - 2013
Full Professor Full Time

UNIVERSIDAD DE CHILE

Ciencias

Santiago, Chile

2011 - A la fecha

Professor Full Time

Universidad de Chile

Santiago , Chile

2011 - A la fecha
Senior researcher Full Time

Max Planck Institute of Microstructured Physics

Halle, Alemania

2012 - 2013
Associate Researcher Part Time

Center for the Development of Nanoscience and Nanotechnology

Santiago, Chile

2009 - 2024
Principal Researcher Part Time

Center for Nanoscience and Nanotechnology

Santiago, Chile

2025 - A la fecha

PhD thesis of Javiera Cabezas Escares, "Phonon-Mediated Superconductivity: From Structural Stability to Electronic Reservoirs”, at Universidad de Chile (2022-2026)
PhD thesis of Wilver Anderson Muriel, "Efecto del sustrato en propiedades opticas de los centros de color en nitruro de boro hexagonal", at Universidad de Chile (2022-2025)
PhD thesis of Jose Mella Riquelme, "Control of Topologically Protected Surface States", at Universidad de Chile (2015-2019)
MSc thesis of Ignacio Chacon, "Luminiscencia en defectos de alto spin en Nitruro de Boro hexagonal", at Universidad de Chile (2023-2025)
MSc thesis of Cesar Jara Donoso, "Physical Properties of Defects in van der Waals Heterostructures", at Universidad de Chile (2018-2020)
MSc thesis of Andres Robles, "Efecto del Confinamiento en la Estructura Electrónica de átomos y moléculas diatómicas", Universidad de Chile (2019-2020)
MSc thesis of Esteban Flores, "Inducing a topological transition in graphene nanoribbons superlattices by external strain", Universidad de Chile (2021-2023)
MSc Thesis of Fernanda Pinilla, "Centros de color en nitruro de borohexagonal y heteroestructuras de van der Waals", Universidad de Chile (2020-2023)

I am the organizer of the "ChileNobel" conferences, a cycle of short talks for the general public on each year's Nobel Prizes and their relationship with Chile.
I coordinated the outreach project "Physics of the sound" for vulnerable students in the municipality of Puenta Alto (2025-2026).
Creation and revision of the PSU & PAES standardized admission test for undergraduate students (2014-2026).

Becas Conicyt

CONSEJO NACIONAL DE CIENCIA Y TECNOLOGIA

Chile

Scholarship for graduate studies
Becas Chile

COMISION NACIONAL DE INVESTIGACION CIENTIFICA Y TECNOLOGICA

Chile

Scholarship to postdoctoral training abroad


FukuiGrid: A Python code for c-DFT in solid-state chemistry Barrera, Nicolas F.; Cabezas-Escares, Javiera; Calatayud, Monica; Munoz, Francisco; Gomez, Tatiana; Cardenas, Carlos Article ISI COMPUTER PHYSICS COMMUNICATIONS (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; Gomez, Tatiana; Cabezas, Javiera; Munoz, Francisco; Cardenas, Carlos Article ISI SCOPUS International Journal of Hydrogen Energy (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.; CÃ¡rdenas C. Article ISI SCOPUS Journal of Chemical Theory and Computation (2025)
Optical properties and spin states of inter-layer carbon defect pairs in hexagonal boron nitride: a first-principles study Chacon, I; Echeverri A.; CÃ¡rdenas C.; Munoz F. Article ISI SCOPUS Physical Chemistry Chemical Physics (2025)
Chemical bonding dictates drastic critical temperature difference in two seemingly identical superconductors Article ISI SCOPUS Proceedings of the National Academy of Sciences of the United States of America (2024)
Electronic structure and vibrational stability of copper-substituted lead apatite LK-99 Article ISI SCOPUS Physical Review B (2024)
Expanding PyProcar for new features, maintainability, and reliability Lang, Logan; Tavadze, Pedram; Tellez, Andres; Bousquet, Eric; Xu, He; Herath, Uthpala Article ISI SCOPUS Computer Physics Communications (2024)
Exploring structural and electronic properties of topological insulator/graphene nano-heterostructures Valentina Gallardo; Rodolfo San Martín; Irina Zubritskaya; Paula Giraldo-Gallo; Caleb Z. Zerger; Hari C. Manoharan Article SCOPUS Results in Physics (2024)
Exploring the catalytic potential of AuxPt4-x clusters on TiC and ZrC (001) surfaces for hydrogen dissociation Gomez, Tatiana Article ISI SCOPUS Applied Surface Science (2024)
Generation of phonon quantum states and quantum correlations among single photon emitters in hexagonal boron nitride Article ISI SCOPUS EPJ Quantum Technology (2024)
Manipulating the Stacking in Two-Dimensional Hexagonal Boron Nitride Bilayers: Implications for Defect-Based Single Photon Emitters Muriel, Wilver A.; Cabezas-Escares, Javiera Article ISI SCOPUS ACS Applied Nano Materials (2024)
On the link between the reaction force constant and conceptual DFT Chakraborty, Debajit; Gomez, Tatiana; Fuentealba, Patricio Article ISI SCOPUS Journal of Molecular Modeling (2024)
Prediction of BiS2-type pnictogen dichalcogenide monolayers for optoelectronics Nalabothula, Muralidhar; Wirtz, Ludger Article ISI SCOPUS npj 2D Materials and Applications (2024)
Formation of H2 on polycyclic aromatic hydrocarbons under conditions of the ISM: an ab initio molecular dynamics study Barrera, Nicolas F.; Fuentealba, Patricio; Gomez, Tatiana Article ISI SCOPUS Monthly Notices of the Royal Astronomical Society (2023)
Spin-active single photon emitters in hexagonal boron nitride from carbon-based defects Chacon, Ignacio Article ISI SCOPUS Physica Scripta (2023)
High-temperature phonon-mediated superconductivity in monolayer Mg2B4C2 Alexandrova, Anastassia N.; Vanderbilt, David Article ISI SCOPUS npj Quantum Materials (2022)
Inducing a topological transition in graphene nanoribbon superlattices by external strain Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
Defect levels from SCAN and MBJ meta-GGA exchange-correlation potentials Article ISI SCOPUS Physical Review B (2021)
First-Principles Identification of Single Photon Emitters Based on Carbon Clusters in Hexagonal Boron Nitride Jara, Cesar; Rauch, Tomas; Botti, Silvana; Castellanos-Aguila, J. E. Article ISI SCOPUS Journal of Physical Chemistry A (2021)
First-principles study of Mn-3 adsorbed on Au(111) and Cu(111) surfaces Ricardo-Chavez, J. L. Article ISI SCOPUS RSC Advances (2021)
Nanoindentation of Amorphous Carbon: a combined experimental and simulation approach Santiago, Jose; Gonzalez-Arrabal, Raquel; Perez Diaz, Miguel; Monclus, Miguel A.; Molina-Aldareguia, Jon; Diaz Nunez, Pablo; Kiwi, Miguel Article ISI SCOPUS Acta Materialia (2021)
Understanding Topological Insulators in Real Space Article ISI SCOPUS Molecules (2021)
Electronic structure of first and second row atoms under harmonic confinement Article ISI SCOPUS International Journal of Quantum Chemistry (2020)
Highly porous tungsten for plasma-facing applications in nuclear fusion power plants: a computational analysis of hollow nanoparticles Diaz-Rodriguez, Pablo; Rogan, Jose; Martin-Bragado, Ignacio; Perlado, J. M.; Rivera, Antonio Article ISI SCOPUS Nuclear Fusion (2020)
Imogolite in water: Simulating the effects of nanotube curvature on structure and dynamics Greathouse J.A. Article ISI SCOPUS Applied Clay Science (2020)
Magnon valley Hall effect in CrI3-based van der Waals heterostructures Hidalgo-Sacoto R.; Troncoso, Roberto E. Article ISI SCOPUS Physical Review B (2020)
PyProcar: A Python library for electronic structure pre/post-processing Herath U.; Tavadze P.; Bousquet E. Article ISI SCOPUS Computer Physics Communications (2020)
Simulated mechanical properties of finite-size graphene nanoribbons Aparicio E.; Tangarife E.; Munoz F.; Gonzalez R.I.; Valencia F.J.; Careglio C.; Bringa E.M. Article ISI SCOPUS Nanotechnology (2020)
First-principles study of Ni adatom migration on graphene with vacancies Hernandez-Vazquez, E. E.; Moran-Lopez, J. L. Article ISI SCOPUS RSC ADVANCES (2019)
Hematene: a 2D magnetic material in van der Waals or non-van der Waals heterostructures Article ISI SCOPUS 2D MATERIALS (2019)
Interaction of Nitroxide Radicals with an Au-8 Nanostructure: Theoretical and Calorimetric Studies Aliaga, Carolina; Fuentealba, Patricio; Spodine, Evgenia Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Molecular simulations of carbon allotropes in processes with creation and destruction of chemical bonds Gonzalez R.I.; Bringa E.M. Article ISI SCOPUS CARBON (2019)
Strain to alter the covalency and superconductivity in transition metal diborides Zhai, Huanchen; Alexandrova, Anastassia Article ISI SCOPUS JOURNAL OF MATERIALS CHEMISTRY C (2019)
Bending energy of 2D materials: graphene, MoS2 and imogolite Valdivia, Juan Alejandro; Gonzalez, Rafael, I; Sofo, Jorge; Rogan, Jose; Kiwi, Miguel Article ISI SCOPUS RSC ADVANCES (2018)
Growth of Ni nanoclusters on irradiated graphene: a molecular dynamics study Moran-Lopez, Jose Luis; Bringa, Eduardo M. Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)
Topological properties of a bipartite lattice of domain wall states Pinilla F.; Molina M.I. Article ISI SCOPUS Scientific Reports (2018)
Magnetic phases at the molecular scale: the case of cylindrical Co nanoparticles D?az, Pablo Article ISI SCOPUS JOURNAL OF NANOPARTICLE RESEARCH (2017)
Topology-driven nonlinear switching in Mobius discrete arrays Turitsyn, Sergei K.; Kivshar, Yuri S. Article ISI SCOPUS PHYSICAL REVIEW A (2017)
Bilayer graphene under pressure: Electron-hole symmetry breaking, valley Hall effect, and Landau levels Collado, H. P. Ojeda; Usaj, Gonzalo; Sofo, Jorge O.; Balseiro, C. A. Article ISI SCOPUS PHYSICAL REVIEW B (2016)
Energetics and the magnetic state of Mn2 adsorbed on Au(111): Dimer bond distance dependence López-Moreno, S; Mejía-López, J; Munoz F.; Calles, A; Morán-López, JL Article ISI SCOPUS Journal of Magnetism and Magnetic Materials (2016)
Prediction and control of spin polarization in a Weyl semimetallic phase of BiSb Singh, Sobhit; Garcia-Castro, A. C.; Valencia-Jaime, Irais; Mu?oz, Francisco; Romero, Aldo H. Article ISI SCOPUS PHYSICAL REVIEW B (2016)
Topological Crystalline Insulator in a New Bi Semiconducting Phase Munoz F.; Vergniory, MG; Rauch T.; Henk, J; Chulkov, EV; Mertig, I; Botti S.; Marques M.A.L.; Romero A.H. Article ISI SCOPUS SCIENTIFIC REPORTS (2016)
Au13-nAgn clusters: a remarkably simple trend Munoz F.; Varas A.; Rogan J.; Valdivia J.A.; Kiwi M. Article ISI SCOPUS Physical Chemistry Chemical Physics (2015)
Surface states of FeF2 (110) and its uncompensated magnetization Munoz F.; Romero A.H.; Mejía-López, J; Roshchin, IV; Gonzalez R.I.; Kiwi M. Article ISI SCOPUS Journal of Magnetism and Magnetic Materials (2015)
Model for Self-Rolling of an Aluminosilicate Sheet into a Single-Walled Imogolite Nanotube Gonzalez, R. I.; Ramirez R.; Rogan J.; Valdivia, J. A.; Munoz F.; Valencia F.; Ramirez M.; Kiwi M. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Physical properties of quasi-one-dimensional MgO and Fe3O4-based nanostructures Mejía-López, J; Mazo-Zuluaga J.; López-Moreno, S; Munoz F.; Duque L.F.; Romero A.H. Article ISI SCOPUS PHYSICAL REVIEW B (2014)
Reorganization of a topological surface state: Theory for Bi2Te3(111) covered by noble metals Munoz, Francisco; Flieger, Markus; Henk, Jürgen; Mertig, Ingrid Article ISI SCOPUS PHYSICAL REVIEW B (2014)
Ab Initio Molecular Dynamics Simulations of Ti-2 on C-20 Collisions and C20Ti2 Configurations Munoz F.; CÃ¡rdenas C.; Rogan J.; Valdivia J.A.; Fuentealba, P.; Kiwi M. Article ISI SCOPUS Journal of Physical Chemistry C (2013)
Binary cluster collision dynamics and minimum energy conformations Munoz F.; Rogan J.; Valdivia J.A.; Varas A.; Kiwi M. Article ISI SCOPUS Physica B: Condensed Matter (2013)
Finite size effects on the magnetocrystalline anisotropy energy in Fe magnetic nanowires from first principles Munoz F.; Romero A.H.; Mejía-López, J; Morán-López, JL Article ISI SCOPUS Journal of Nanoparticle Research (2013)
Properties of Fe8-NCoN nanoribbons and nanowires: A DFT approach Munoz F.; Altbir D.; Kiwi M.; Morán-López, JL Article ISI SCOPUS Journal of Magnetism and Magnetic Materials (2013)
A new isomer of C-20 and a way to a new C-240 CÃ¡rdenas C.; Munoz F.; Munoz, M.; Bernardin A.; Fuentealba, P. Article ISI SCOPUS Physical Chemistry Chemical Physics (2012)
Displacements of hysteresis loops in magnetite nanoparticles Mazo-Zuluaga J.; Mejía-López, J; Munoz F.; Restrepo, J. Article ISI Revista Mexicana de Fisica (2012)
First-principles theoretical investigation of monoatomic and dimer Mn adsorption on noble metal (111) surfaces Munoz F.; Romero, A. H.; Mejía-López, J Article ISI SCOPUS Physical Review B - Condensed Matter and Materials Physics (2012)
Nanocluster Collisions as a Way to Understand the Role of d-Shell Polarization Kiwi M.; Munoz F.; Garcia, G.; Ramirez R.; Rogan J.; Valdivia, J. A. Article ISI SCOPUS Journal of Superconductivity and Novel Magnetism (2012)
Physical and chemical properties of Con-mCum nanoclusters with n=2-6 atoms via ab-initio calculations Perez M.; Munoz F.; Mejía-López, J; Martinez, G. Article ISI SCOPUS Journal of Nanoparticle Research (2012)
Collisions between a single gold atom and 13 atom gold clusters: an ab initio approach Munoz F.; Rogan J.; Garcia, G.; Ramirez M.; Valdivia J.A.; Ramirez R.; Kiwi M. Article ISI SCOPUS European Physical Journal D (2011)
Monoatomic and dimer Mn adsorption on the Au(111) surface from first principles Munoz F.; Romero A.H.; Mejía-López, J; Morán-López, JL Article ISI SCOPUS Physical Review B - Condensed Matter and Materials Physics (2011)
The role of d-orbital polarization on rhodium cluster collisions Munoz F.; Rogan J.; Garcia, G.; Valdivia J.A.; Ramirez R.; Kiwi M. Article ISI SCOPUS European Physical Journal D (2011)
Uniaxial Magnetic Anisotropy Energy of Fe Wires Embedded in Carbon Nanotubes Munoz F.; Mejía-López, J; Perez-Acle T.; Romero A.H. Article ISI SCOPUS ACS Nano (2010)
Surface anisotropy, hysteretic, and magnetic properties of magnetite nanoparticles: A simulation study Mazo-Zuluaga J.; Restrepo, J.; Munoz F.; Mejía-López, J Article ISI SCOPUS Journal of Applied Physics (2009)


Exploring the role of spatial modulations on the local electronic properties of topological insulator-based nanoheterostructures Munoz, Francisco Proyecto (2026)
Center for Nanoscience and Nanotechnology Altbir, Dora; Munoz, Francisco Proyecto (2025)
Defects in two-dimensional materials and heterostructures Proyecto (2023)
Strain effect on local electronic properties of topological insulator nanostructures Proyecto (2022)
Light-Matter Interactions in Topological Nanomaterials Towards Low-Consumption Information Technology Proyecto (2019)
Topological Insulator Superlattices Proyecto (2019)


A chemical theory of topological insulators MartÃn PendÃ¡s A.; Contreras-GarcÃa J. Review ISI SCOPUS CHEMICAL COMMUNICATIONS (2019)

Griselda Garcia

Profesor asociado

Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE - FACULTAD DE FÍSICA

Santiago, Chile

José Mejía

Profesor Titular

Física

PONTIFICIA UNIVERSIDAD CATÓLICA E CHILE

Santiago, Chile

José Rogan

PROFESOR TITULAR

FISICA

FACULTAD DE CIENCIAS, UNIVERSIDAD DE CHILE

Santiago, Chile

Juan Valdivia

Full Professor

Fisica

DEPARTAMENTO DE FISICA, FACULTAD DE CIENCIAS, UNIVERSIDAD DE CHILE

Santiago, Chile

Eugenio Vogel

Profesor Títular

Ciencias Físicas

UNIVERSIDAD DE LA FRONTERA

Temuco, Chile

Ricardo Ramirez

Profesor

Fisica

Universidad Catolica de Chile

Santiago, Chile

Carolina Parra

Academic

Mechanical Engineering

UNIVERSIDAD TECNICA FEDERICO SANTA MARIA

Valparaíso, Chile

patricio fuentealba

Profesor Titular

Física

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

Santiago, Chile

Jeronimo Maze

Associate Professor

Physics

FACULTAD DE FISICA, PONTIFICIA UNIVERSIDAD CATOLICA

Santiago, Chile

Samuel Baltazar

Académico

Física

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Miguel Kiwi

Full Professor

Physics

FACULTAD DE CIENCIAS, UNIVERSIDAD DE CHILE

Santiago, Chile

Carolina Aliaga

Profesora Titular

Ciencias de Ambiente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Tatiana Gómez

Assistant Proffesor

Engineering

UNIVERSIDAD AUTÓNOMA DE CHILE

SANTIAGO, Chile

Francisco Munoz

Professor

Physics

UNIVERSIDAD DE CHILE, FAC. CIENCIAS, DEPTO FISICA

Santiago, Chile

Evgenia Spodine

Full Professor

Química Inorgánica y Analítica

UNIVERSIDAD DE CHILE

Santiago, Chile

Dora Altbir

Directora Proyectos Institucionales, Académica Facultad de Ciencia e Ingeniería

Universidad Diego Portales

Santiago, Chile

Sebastian Allende

Assistant Professor

Physics

UNIVERSIDAD DE SANTIAGO DE CHILE (USACH)

Santiago, Chile

Rafael Gonzalez

Profesor Asociado

Universidad Mayor de Chile

Santiago, Chile

Carlos Cardenas

Professor

Physics

UNIVERSIDAD DE CHILE

Santiago, Chile

Tomas Perez-Acle

Full Professor

Computational Biology Lab

Fundación Ciencia para la Vida

Santiago, Chile

Vitalie Eremeev

Assist. Prof.

Ingeniería y Ciencias

Universidad Diego Portales

Santiago, Chile

Max Ramirez

Full time professor (Instructor)

UNIVERSIDAD DE CHILE

Chile

Ariel Norambuena

Profesor Asistente

Departamento de Física

Universidad Técnica Federico Santa María

Santiago, Chile

Javier Rojas

Académico Auxiliar

Departamento de Computación e Industrias

Universidad Católica del Maule

Talca, Chile

Alejandro Varas

Investigador

Cedenna

Santiago, Chile

Alejandro Bernardin

Investigador postdoctoral

Fundación Ciencia y Vida

Santiago, Chile

Edwin Tangarife

Asistente Adjunto

Universidad Mayor de Chile

Santiago, Chile

Marcos Pérez

CTO

Ainwater

Osorno, Chile

Felipe Valencia

Director departamento

Computación e industrias

Universidad Católica del Maule

Talca, Chile

Nicolás Barrera

Catalina Cortés

Posdoctorante

Química

Universidad de Chile

Santiago, Chile

Francisco Javier Munoz Saez

Líneas de Investigación

Educación

Physics, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2010

Physics, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2006

Experiencia Académica

Senior Researcher Full Time

Full Professor Full Time

Experiencia Profesional

Professor Full Time

Senior researcher Full Time

Associate Researcher Part Time

Principal Researcher Part Time

Formación de Capital Humano

Difusión y Transferencia

Premios y Distinciones

Becas Conicyt

Becas Chile

Article (61)

Proyecto (6)

Review (1)