Speakers

• Jorge Kohanoff – Instituto de Fusión Nuclear “Guillermo Velarde”, Universidad Politécnica de Madrid, Spain.

Electronic stopping in liquid water, water vapor, and ice

• Dominique Mombrú – Área Física, Facultad de Química, Universidad de La República, Uruguay.

Studies of doped systems of poly(3-hexylthiophene) (P3HT)

• Jorge Sofo – Department of Physics, Department of Materials Science and Engineering, and Materials Research Institute, The Pennsylvania State University, Penn State, USA.

Generalized Quantum Langevin Equation for Transport: The Case for Interband Coherences in the Electrical Conductivity

• Helena Petrilli  –  Instituto de Física, Universidade de São Paulo, Brazil.

Interfacial interdiffusion and formation of skyrmions: Pd/Co/Pd as a test case

• Luciana Fernández Werner – Área Física, Facultad de Química, Universidad de La República, Uruguay.

Low dimensional structures derived from A₂Ti_nO_2n+1 (n=1-9, A=alkali metal or H) layered titanates and titanium oxides

• Stefaan Cottenier – Center for Molecular Modeling, University of Ghent, Belgium.

Testing the hell out of DFT codes with virtual oxides

• Alfredo Juan – Departamento de Física, Universidad Nacional del Sur, Argentina.

A theoretical study of ethyl formate adsorption on CaO (001)

• M. Verónica Ganduglia Pirovano – Institute of Catalysis and Petroleochemistry, CSIC, Madrid, Spain.

Assessment of Density Functional Approximations for correlated oxides surface chemistry: The case of CO bound to CeO₂ surfaces

• Paolo Giannozzi – Scuola Normale Superiore, Pisa, Italy.

Trends in software for electronic structure calculations

• Gustavo Scusseria – Rice University, Houston – Texas, USA.

Methods for Strong Electron Correlation

• Sergio Koval – Instituto de Física Rosario (IFIR), Universidad Nacional de Rosario, Argentina.

Ab initio molecular dynamics and path integral Monte Carlo simulations of the ferroelectric phase transition in KDP

• Ana Valencia – Physics Department, Carl von Ossietzky Universität Oldenburg, Germany.

Optical properties of perfluorotetracene (PFT) crystal polymorphs and Perfluoropentacene (PFP) co-crystals

• Ivan Arellano – Universidad Tecnológica de Pereira, Colombia.

Dependence of the formation energy with the Kohn-Sham solution method and exchange-correlation functional for the XN (X=Al, Ga, In) semiconductors

• Rubén Pérez – Universidad Autónoma de Madrid, Madrid, Spain.

Molecular identification with high-resolution AFM images, DFT simulations and deep learning

• Dario Estrín – Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina.

QM-MM simulations using the ANI machine learning potential: assessment of embedding schemes

• Iván Miranda – Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden.

Spin-lattice couplings and Gilbert damping with ab-initio accuracy

• Ana María Llois – Universidad Nacional de San Martín, Buenos Aires, Argentina.

X^th edition of “Novel Methods for Electronic Structure Calculations”

• Adrián Bonivardi – Universidad Nacional del Litoral, Santa Fé, Argentina.

Unraveling Reaction Mechanisms in Heterogeneous Catalysis by Oxides: The Dynamic Duo of Infrared Spectroscopy and Density Functional Theory

• Martín Zoloff-Michoff – Departamento de Química Teórica y Computacional, Facultad de Química, Universidad de Córdoba, Argentina.

“In Silico” Design of Novel Materials for the Next Generation of Lithium Batteries

• Andrés Saúl – Aix-Marseille Université, Centre Interdisciplinaire de Nanoscience de Marseille, Marseille, France.

Magnetic order, magnetic excitations and magnetoelastic interactions in a two-dimensional van-der Waals system

• Josep M. Oliva-Enrich – Instituto de Química-Física Blas Cabrera (CSIC), Madrid, Spain.

         A new 2D chemistry of Boron?