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Analysis of Dynamics and Amorphization of Metal oxides (MOx)

CORDIS · observation · Publication date unknown

hips in catalytic reactions, and developing a universal operando simulation workflow for thermos/electro-chemical catalytic systems. The interdisciplinary approach integrates computational chemistry, machine learning, and experimental techniques, enhancing the fundamental understanding of heterogenous catalysis. Furthermore, this project adheres to open science practices, ensuring transparency and collaboration within the scientific community. For the researcher, Dr. Li, under the guidance of Prof. Núria López at ICIQ, this project offers her a unique scientific career development opportunity to excel in a traditionally male-dominated area. It provides a platform to contribute to groundbreaking research while championing openness and diversity in science. In summary, ADAMox advances catalysis for clean energy and sustainable processes, offering exciting career prospects for the researcher while promoting open science and gender diversity in research. Heterogeneous catalysis; Metal Oxides; Neural Network; Density Functional Theory; (ab initio) Molecular Dynamics (MD) Simulations; Stru

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recordType

award

status

SIGNED

region

EU

value

181152.96

unit

EUR