معرفی
Dr. Oier Arcelus Elcorobarrutia is a dedicated researcher specializing in computational materials science for electrochemical energy storage. Currently, he holds a postdoctoral position at the Institut de Ciència de Materials de Barcelona (ICMAB), part of the Spanish National Research Council (CSIC), within the solid state chemistry group led by Prof. M. Rosa Palacin. Additionally, he serves as an invited researcher at CIC energiGUNE, contributing to the Atomistic Modelling and Computational Studies group. His prior experience includes a postdoctoral stint at the Laboratoire de Réactivité et Chimie des Solides (LRCS) in Amiens, France, under Prof. Alejandro A. Franco.
Dr. Arcelus completed his entire academic formation at the University of the Basque Country (UPV/EHU):
- 2014: Grade in Physics
- 2015: Master's in Nanoscience
- 2019: PhD in Physics, with a thesis titled "Using Density Functional Theory (DFT) to analyze the electrochemical and magnetic behavior of sodium based battery materials", supervised by Dr. Javier Carrasco from CIC Energigune.
Dr. Arcelus's research is centered on advancing computational methodologies to tackle critical challenges in next-generation battery technologies. His key interests include: developing open-source software tools for scientific data analysis (particularly for XRD patterns in the BIG-MAP initiative); multiscale modeling of battery electrodes, ranging from quantum-chemical simulations (DFT) of material properties to mesoscale modeling of electrode structures and transport phenomena; and investigating fundamental mechanisms in sodium-ion, lithium-sulfur, and metal-air batteries. His work integrates computational chemistry, materials science, and electrochemistry to design and optimize energy storage materials and systems, with a strong emphasis on translating theoretical insights into practical battery engineering solutions.
A review of Dr. Arcelus's publications from 2019-2022 highlights a consistent focus on computational studies of battery materials, particularly for sodium-ion and lithium-sulfur systems. His work spans multiple scales: atomic-level DFT calculations to understand phase transformations and electronic structures; mesoscale modeling of electrode architectures and ion transport; and development of simulation tools for manufacturing processes. Key themes include the role of material asymmetry in electrolyte performance, stability of superoxide intermediates in metal-air batteries, and the design of novel electrode materials. His research demonstrates a strong trend towards open science and collaborative tool development.
Dr. Arcelus is a key contributor to the BIG-MAP (Battery Interface Genome: Marie Curie Initial Training Network) initiative, a major European project focused on accelerating battery development through data-driven approaches. At ICMAB-CSIC, he works within the Solid State Chemistry group, while at CIC energiGUNE he collaborates with the Atomistic Modelling and Computational Studies group. His current projects involve building open software for XRD data analysis in partnership with leading facilities including the Institute Laue-Langevin (ILL) and ALBA synchrotron, fostering a collaborative environment across multiple European research institutions.
No information on student advising or research grants was provided in the source material.
