A novel method to determine the transport coefficients of an YSZ electrolyte based on impedance spectroscopy
S. Kabelac , G. Valadez Huerta , P. Radici , N. Geesmann
Solid State Ionics 363 115591
2021
Modeling a thermocell with proton exchange membrane and hydrogen electrodes
T. Marquardt , G. Valadez Huerta , S. Kabelac
International Journal of Hydrogen Energy 43 ( 43) 19841 -19850
2
2018
A phenomenological study of yttria-stabilized zirconia at 1300 K with the Green-Kubo formulation and equilibrium molecular dynamics
G. Valadez Huerta , A. Kelle , S. Kabelac
Chemical Physics 485 108 -117
5
2017
Modelling and simulation of the transport mechanisms in solid oxide fuel cells with molecular dynamics and non-equilibrium thermodynamics
Gerardo Valadez Huerta
Hannover : Institutionelles Repositorium der Leibniz Universität Hannover
2019
Genetic Parameterization of Interfacial Force Fields Based on Classical Bulk Force Fields and Ab Initio Data: Application to the Methanol-ZnO Interfaces.
Gerardo Valadez Huerta , Gabriele Raabe
Journal of Chemical Information and Modeling 60 ( 12) 6033 -6043
2020
Approach to the Coulomb Contribution of Thermodynamic Properties from the Mean Electrostatic Potential of the Ions in (ZrO2)1–x(Y2O3)x
Gerardo Valadez Huerta , Malte Siemen , Stephan Kabelac
The Journal of Physical Chemistry C 122 ( 1) 62 -70
3
2018
A Diffusivity Study of (Sc2O3)0.1(CeO2)0.01(ZrO2)0.89 between 1100 and 1500 K at Zero Pressure with Molecular Dynamics
Gerardo Valadez Huerta , Lucas Reus , Stephan Kabelac
Journal of Chemical & Engineering Data 63 ( 6) 1955 -1960
4
2018
Local Entropy Production Rates in a Polymer Electrolyte Membrane Fuel Cell
Marc Siemer , Tobias Marquardt , Gerardo Valadez Huerta , Stephan Kabelac
Journal of Non-Equilibrium Thermodynamics 42 ( 1) 1 -30
7
2017
Exergy analysis of the diesel pre-reforming solid oxide fuel cell system with anode off-gas recycling in the SchIBZ project. Part I: Modeling and validation
Gerardo Valadez Huerta , Johanan Álvarez Jordán , Michael Dragon , Keno Leites
International Journal of Hydrogen Energy 43 ( 34) 16684 -16693
17
2018
Impact of Multi-Causal Transport Mechanisms in an Electrolyte Supported Planar SOFC with (ZrO2)x−1(Y2O3)x Electrolyte
Gerardo Valadez Huerta , Vincent Flasbart , Tobias Marquardt , Pablo Radici
Entropy 20 ( 6) 469
2
2018
Cyber Catalysis: N $ \_2 $ Dissociation over Ruthenium Catalyst with Strong Metal-Support Interaction
Gerardo Valadez Huerta , Kaoru Hisama , Katsutoshi Sato , Katsutoshi Nagaoka
arXiv preprint arXiv:2208.13385
3
2022
Molecular dynamics of electric-field driven ionic systems using a universal neural-network potential
Kaoru Hisama , Gerardo Valadez Huerta , Michihisa Koyama
Computational Materials Science 218 111955
1
2023
Calculations of Real-System Nanoparticles Using Universal Neural Network Potential PFP
Gerardo Valadez Huerta , Yusuke Nanba , Iori Kurata , Kosuke Nakago
arXiv e-prints arXiv: 2107.00963 -arXiv: 2107.00963
4
2021
Machine Learning-Based Approaches in Nanoparticle Catalysis
Gerardo Valadez Huerta , Kaoru Hisama , Yusuke Nanba , Michihisa Koyama
Elsevier 594 -619
2024
CO Adsorption on Ternary Nanoalloys by Universal Neural Network Potential
Ayako TAMURA , Gerardo VALADEZ HUERTA , Yusuke NANBA , Kaoru HISAMA
Journal of Computer Chemistry, Japan 21 ( 4) 129 -133
2022
First-Principles Calculations of Stability, Electronic Structure, and Sorption Properties of Nanoparticle Systems
Gerardo VALADEZ HUERTA , Yusuke NANBA , Nor Diana Binti ZULKIFLI , David Samuel RIVERA ROCABADO
Journal of Computer Chemistry, Japan 20 ( 2) 23 -47
2021
Machine Learning in Catalysis: Analysis and Prediction of CO Adsorption on Multi-elemental Nanoparticle using Metal Coordination-based Regression Model
Susan Menez ASPERA , Gerardo Valadez HUERTA , Yusuke NANBA , Kaoru HISAMA
Journal of Computer Chemistry, Japan 23 ( 1) 19 -23
2024
Schlussbericht
M DRAGON , S KABELAC , G VALADEZ HUERTA
2013