AULA BCAM - UPV/EHU: From Atoms to Applications: Design and Characterization of Pioneer Materials Through Atomistic Simulations

Date: Wed, Apr 10 2024

Hour: 12:00 - 13:00

Location: Aula 1.10 Facultad de Ciencia y Tecnología. Campus Leioa (UPV/EHU)

Speakers: Henry Andrés Cortés and Mauricio Rincón Bonilla (BCAM)

Register: Registration link

Within the AULA BCAM-UPV/EHU, Postdoctoral researchers Henry Andrés Cortés and Mauricio Rincón Bonilla (MSLMS) will give a talk on April 11th about "From Atoms to Applications: Design and Characterization of Pioneer Materials Through Atomistic Simulations". 
The talk will be in Spanish and will take place at the Aula 1.10 Facultad de Ciencia y Tecnología in Leioa Campus (UPV/EHU) from 12:00 to 13:00. 
There will be a coffee break and there is a registration link to attend, registration closes on April 4th
We invite you to share this activity information with students who might be interested!
Title: From Atoms to Applications: Design and Characterization of Pioneer Materials Through Atomistic Simulations
Atomistic simulations represent a transformative approach in materials science, offering unprecedented insight into the fundamental behaviors of materials at the atomic level. By leveraging computational models to simulate the interactions and dynamics of atoms and molecules within a material, scientists can predict and analyze a wide range of properties, such as mechanical strength, ionic conductivity, and electronic structure. Additionally, atomistic simulations facilitate the exploration of material behavior under extreme conditions that are difficult to replicate experimentally. Consequently, they can accelerate the discovery of new materials and significantly reduce the cost and time associated with experimental trial-and-error approaches.

At the Basque Center for Applied Mathematics (BCAM), Professor Elena Akhmatskaya's Modelling and Simulation in Life and Materials Science (MSLMS) group is at the forefront of developing enhanced techniques to increase the accuracy and speed of atomistic simulations. The group is also developing techniques to bridge multiple time and length scales involved in the behavior of the most technologically advanced materials, as well as exploring the use of machine learning methods to model, characterize, and improve materials under study. The practical applications of these methodologies are broad and impactful.

Currently, our focus is on the development of safer and more efficient batteries, a critical component in the transition to sustainable energy sources. Additionally, we collaborate with local companies in the creation of advanced steels for the storage and transportation of hydrogen fuel, a promising alternative energy vector. In this talk, we will discuss our methods, how we use them in these projects, and the exciting possibilities that lie ahead in the field of computational materials design and innovation.

Confirmed speakers:

About the speakers:

Henry Andrés Cortés
earned a Bachelor's degree in Physics from the University of Quindío, Colombia, and a Ph.D. in Science and Technology in Physics from the National University of San Martín, Argentina (2020). His research focuses on multiscale simulation of energetic materials to accelerate their discovery and optimization. After completing his doctorate, he joined the Condensed Matter Molecular Simulations group at the University of Buenos Aires, Argentina, where he investigated alcohol-water solute partitioning within nanopores using molecular dynamics and coarse-grained models. In 2021, he joined Prof. Elena Akhmatskaya's MSLMS group at BCAM, where he leads the development of force fields and atomistic simulations of solid electrolytes, as well as modeling interfaces in commercial lithium-ion batteries.

Mauricio Rincón Bonilla is a Chemical Engineer with over ten years of experience in multiscale methods in computational physical chemistry. He obtained a Ph.D. in Chemical Engineering (2014) from the University of Queensland (Australia) and served as a post-doctoral fellow at the same university (2014-2016). In 2017, he joined Prof. Elena Akhmatskaya's MSLMS group at BCAM. Here, he co-leads a team that applies advanced simulation techniques in the study of materials for energy storage. Mauricio received the Ramón y Cajal (2023) and Juan de la Cierva (2019) fellowships from the AEI, as well as HPC-Europa3 (2018) from the European Commission. He has been a co-PI and team member of numerous national and international grants related to modeling diffusive processes in solids, liquids, and interfaces.

Related events

No incoming events were found.