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Carlos Alberto Cardenas Valencia

Associate professor

UNIVERSIDAD DE CHILE

Santiago, Chile

Líneas de Investigación


Chemical reactivity. Electronic structure in atoms and molecules. Ab initio molecular dynamics to understand complex phenomena in molecular systems. Development of first principle methods and tools for materials design. Matter-radiation interaction.

Educación

  •  Mechanical Engineer, Universidad Nacional de Colombia. Colombia, 2003
  •  Molecular Physical Chemistry, Universidad Andres Bello. Chile, 2007

Experiencia Académica

  •   SHARCNET Postodoctoral Fellow Full Time

    McMaster University

    Hamilton, Canada

    2008 - 2010

  •   Associate Professor Full Time

    UNIVERSIDAD DE CHILE

    Faculty of Sciences

    Santiago, Chile

    2010 - At present

  •   Visiting Professor Other

    Universidad Nacional de Colombia, Sede Medellin

    SCIENCES

    Medellin, Colombia

    2015 - 2015

  •   Technical advisor Other

    UNIVERSIDAD DE CHILE

    Santiago, Chile

    2012 - 2012

  •   Associate Researcher Part Time

    Center for the Development of Nanoscience and Nanotechnology (CEDENNA)

    Santiago, Chile

    2011 - At present

Formación de Capital Humano


In Progress:
* Andrea Echeverri. PhD in Chemistry. Universidad de Chile
* Edgar Barriga. PhD in Physics. Universidad de Chile
* Wilver Muriel. PhD in Physics. Universidad de Chile
* Crisitian Guerra. PhD in Molecular Physical Chemistry. Universidad Andres Bello.
* Fernando Vergara. Master in Physics. Universidad de Chile
* Mariano Rodríguez. Postdoctoral Fellow, Fondecyt. Universidad de Chile (2019-2022)
* Trinidad Novoa. PhD in chemistry and mathematics. Sorbonne Université. (2021-2023)

Completed:
* Trinidad Novoa. Master in Physics. Universidad de Chile. 2020
* Andres Robles. Master in Chemistry. Universidad de Chile. 2020
Cesar Jara. Master in Physics. Universidad de Chile. 2020.
* Boris Maulén. Electron Localization in Intramolecular Proton Transfer. Master in Physics. Universidad de Chie. 2019.
* Macarena del Pilar Muñoz González. Alchemical transformations in clusters and molecules. PhD in Physics. Universidad de Chie. 2018.
* Roberto Simón Donoso. Application of Ab-initio molecular dynamics in atomic clusters. PhD in Physics. Universidad de Chie. 2017.
* Macarena del Pilar Muñoz González. Study of Cd and Hg nanostructures using computational methods. Master in Physics. Universidad de Chile. 2013.


Premios y Distinciones

  •   Santander Scholarship Young Researchers

    UNIVERSIDAD DE CHILE

    Chile, 2015

    5000 euros for research stay in the Photonics Group of the Universidad Nacional of Colombia. Topic of study: implementation of molecular dynamics protocols in the excited state for the theoretical-experimental characterization of the proton transfer in the excited state.

  •   Best national score in the Higher Education Quality Examinations

    UNIV. NACIONAL DE COLOMBIA

    Colombia, 2003

    Best national score in the Higher Education Quality Examinations of Mechanical Engineering, 2003 cohort.

  •   Sharcnet Reaserch Fellowship

    MCMASTER UNIVERSITY

    Canada, 2007

    Sharcnet Reaserch Fellowship to do a postdoctoral stay in Computer Sciences in McMaster University


 

Article (64)

Deexcitation rate coefficients of C3 by collision with H2 at low temperatures
Coulomb Explosion of Multi-charged Atomic Alkaline Metal Clusters
Orbital energies and nuclear forces in DFT: Interpretation and validation
The change in the nature of bonding in the Li2 dimer under confinement
Computing the Fukui Function in Solid-State Chemistry: Application to Alkaline Earth Oxides Bulk and Surfaces
Electronic structure of first and second row atoms under harmonic confinement
Magnon valley Hall effect in CrI3-based van der Waals heterostructures
On the chemical potential of the hydrogen atom
Predicting Deprotonation Sites Using Alchemical Derivatives
Electron Localization Function in Excited States: The Case of the Ultrafast Proton Transfer of the Salicylidene Methylamine
Formation of complex organic molecules in ice mantles: An ab initio molecular dynamics study
Hematene: a 2D magnetic material in van der Waals or non-van der Waals heterostructures
Interaction of Nitroxide Radicals with an Au-8 Nanostructure: Theoretical and Calorimetric Studies
Molecular simulations of carbon allotropes in processes with creation and destruction of chemical bonds
Reactivity of Carbon Molecular Clusters from a Huckel-Type Model
The Pauli principle and the confinement of electron pairs in a double well: Aspects of electronic bonding under pressure
Theoretical analysis of the adsorption of ammonia-borane and their dehydrogenation products on the (001) surface of TiC and ZrC
A theoretical study of the photodynamics of salicylidene-2-anthrylamine in acetonitrile solution
Local electrophilicity
Quantitative Electrophilicity Measures
Understanding Chemical Reactivity in Extended Systems: Exploring Models of Chemical Softness in Carbon Nanotubes
How predictive could alchemical derivatives be?
On understanding the chemical origin of band gaps
Proposal of a Simple and Effective Local Reactivity Descriptor through a Topological Analysis of an Orbital-Weighted Fukui Function
Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital-weighted fukui function.
The HSAB principle from a finite-temperature grand-canonical perspective
A numerical study of the Lieb-Thirring kinetic energy lower bound
An explicit approach to conceptual density functional theory descriptors of arbitrary order
An explicit approach to conceptual density functional theory descriptors of arbitrary order
Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series
Ferromagnetic bond of Li10 cluster: An alternative approach in terms of effective ferromagnetic sites
A problematic issue for atoms in molecules: Impact of (quasi-)degenerate states on Quantum Theory Atoms in Molecules and Hirshfeld-I properties
Density functional theory of chemical reactivity
Ab lnitio Molecular Dynamics Study of Small Alkali Metal Clusters
An information-theoretic resolution of the ambiguity in the local hardness
How to Compute the Fukui Matrix and Function for Systems with (Quasi-)Degenerate States
In pursuit of negative Fukui functions: molecules with very small band gaps
Influence of environmental variation on symbiotic bacterial communities of two temperate sponges
Mechanism of fluorophore quenching in a pre-fluorescent nitroxide probe: A theoretical illustration
Reaction channels and spectroscopic constants of astrophysical relevant Silicon bearing molecules SiC3H+ and SiC3H
Regional Electrophilic and Nucleophilic Fukui Functions Efficiently Highlight the Lewis Acidic/Basic Regions in Ionic Liquids
Ab Initio Molecular Dynamics Simulations of Ti-2 on C-20 Collisions and C20Ti2 Configurations
Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States
Communication: A case where the hard/soft acid/base principle holds regardless of acid/base strength.
How reliable is the hard-soft acid-base principle? An assessment from numerical simulations of electron transfer energies
In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity
On the exponential model for energy with respect to number of electrons
Performance of modified Lennard-Jones potential to seed ab initio calculations of small cadmium clusters
A new isomer of C-20 and a way to a new C-240
Symmetric Non local Weighted Density Approximations from the Exchange-Correlation Hole of the Uniform Electron Gas
Understanding chemical binding using the Berlin function and the reaction force
Assembling Small Silicon Clusters Using Criteria of Maximum Matching of the Fukui Functions
Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory
Should negative electron affinities be used for evaluating the chemical hardness?
The Fukui Potential and the Capacity of Charge and the Global Hardness of Atoms
The Fukui potential is a measure of the chemical hardness
Relationships between the third-order reactivity indicators in chemical density-functional theory
Theoretical study of the surface reactivity of alkaline earth oxides: Local density of states evaluation of the local softness
Further exploration of the Fukui function, hardness, and other reactivity indices and its relationships within the Kohn-Sham scheme
Nuclear fukui functions from nonintegral electron number calculations
Theoretical study on CDK2 inhibitors using a global softness obtained from the density of states
Nuclear reactivity indices in the context of spin polarized density functional theory
Condensation of the highest occupied molecular orbital within the electron localization function domains
Nature of bonding in the cyclization reactions of (2-ethynylphenyl)triazene and 2-ethynylstyrene

BookSection (6)

Chemical Response Functions in (Quasi-)Degenerate States
The Fukui Function in Extended Systems: Theory and Applications
Dynamics and electronic structure of atomic clusters
Negative Condensed-to-Atom Fukui Functions: A Signature of Oxidation-Induced Reduction of Functional Groups
Topological Analysis of the Fukui Function
Isomorphic Local Hardness and Possible Local Version of Hard–Soft Acids–Bases Principle

ConferenceProceedingWhole (1)

Pauli principle and the confinement of electron pairs In A symmetric double well potential

Proyecto (16)

Evaluación y análisis de la función de localización electrónica para estados excitados sobre GPUs
Developing hybrid strategies to explore the potential energy surface of clusters and molecules
Electronic structure and reactivity of atomic and molecular clusters
How the chemical bond changes on excited state dynamics
How the Chemical Bond Changes on Excited State Dynamics
SIMULATIONS IN DYE SENSITIZED SOLAR CELLS=> ELECTRONIC ABSORPTION PROPERTIES OF ORGANIC DYES SUPPORTED ON TIO2 (NANOCLUSTERS AND SURFACES).
Navigating the Chemical Space: A Perturbative Approach
NAVIGATING THE CHEMICAL SPACE=> A PERTURBATIVE APPROACH
EXPLORING THE DYNAMICS AND REACTIVITY OF ATOMIC AND MOLECULAR CLUSTERS
Exploring the dynamics and reactivity of atomic and molecular clusters
Núcleo Milenio Centro Interdisciplinario de Líquidos Iónicos (CILIS)
Centro Interdisciplinario de Líquidos Iónicos
Programa de Financiamiento Basal=> Centro para el desarrollo de la Nanociencia y Nanotecnología
Describing the reactivity of complex molecular systems
Centro para el Desarrollo de la Nanociencia y Nanotecnología
DESARROLLO Y APLICACION DE MODELOS DE REACTIVIDAD NUCLEAR Y ELECTRONICA EN EL CONTEXTO DE LA TEORIA DE FUNCIONALES DE LA DENSIDAD.

Review (2)

A chemical theory of topological insulators
Chemical Reactivity Descriptors for Ambiphilic Reagents: Dual Descriptor, Local Hypersoftness, and Electrostatic Potential
84
Carlos Cardenas

Associate professor

Physics

UNIVERSIDAD DE CHILE

Santiago, Chile

31
patricio fuentealba

Profesor Titular

Física

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

Santiago, Chile

8
Francisco Munoz

Associate Professor

Physics

UNIVERSIDAD DE CHILE, FAC. CIENCIAS, DEPTO FISICA

Santiago, Chile

7
William Tiznado

Full professor

Chemical Sciences

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

6
EDUARDO CHAMORRO

Profesor Titular. Departamento de Ciencias Quimicas. Facultad de Ciencias Exactas. Universidad Andres Bello

Departamento de Ciencias Químicas

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

4
Tatiana Gómez

Assistant Proffesor

Engineering

UNIVERSIDAD AUTÓNOMA DE CHILE

SANTIAGO, Chile

3
Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

3
Carolina Aliaga

Profesora Titular

Ciencias de Ambiente

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

2
Renato Contreras

professor

Quimica

Universidad de Chile

Santiago, Chile

2
José Rogan

PROFESOR TITULAR

FISICA

FACULTAD DE CIENCIAS, UNIVERSIDAD DE CHILE

Santiago, Chile

2
Rafael Gonzalez

Profesor Asistente

Universidad Mayor de Chile

Santiago, Chile

1
Eugenio Vogel

Profesor Títular

Ciencias Físicas

UNIVERSIDAD DE LA FRONTERA

Temuco, Chile

1
Lina Ruiz

Academico Docente Investigador

Instituto de Ciencias Biomédicas

Universidad Autónoma de Chile

Santiago, Chile

1
alejandro bernardin

PhD (c)

Fundación Ciencia y Vida

Santiago, Chile

1
Cesar Cardenas

Instituto Antártico Chileno

Punta Arenas, Chile

1
Juan Valdivia

Full Professor

Fisica

DEPARTAMENTO DE FISICA, FACULTAD DE CIENCIAS, UNIVERSIDAD DE CHILE

Santiago, Chile

1
Ricardo Pino

Académico Investigador

Ciencias Químicas y Farmaceuticas

Universidad Arturo Prat

Iquique, Chile

1
Miguel Kiwi

Full Professor

Physics

FACULTAD DE CIENCIAS, UNIVERSIDAD DE CHILE

Santiago, Chile

1
Evgenia Spodine

Full Professor

Química Inorgánica y Analítica

UNIVERSIDAD DE CHILE

Santiago, Chile

1
Alejandro Varas

Investigador

Cedenna

Santiago, Chile

1
NELSON ARIAS

Investigador Fondecyt

Ciencias Químicas

Universidad Andrés Bello

Santiago, Chile

1
Jans Alzate

Associate Professor

Departamento de Bioinformática

UNIVERSIDAD DE TALCA

Talca, Chile

1
Edison Osorio

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

1
osvaldo yañez

Académico Investigador

Facultad de Ingeniería y Negocios

Universidad de Las Américas

Santiago, Chile

1
Edwin Tangarife

Asistente Adjunto

Universidad Mayor de Chile

Santiago, Chile

1
Esteban Vohringer-Martinez

Profesor Asociado

Físico-Química

FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

1
Maria Ceron

Profesor Asistente

Facultad de Ingeniería

Universidad Finis Terrae

Santiago, Chile