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

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: https://forms.gle/hgriGmmbGR29f1Fe8

 

 

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.