About Us
Mission - New Materials Lab is an initiative focused on the understanding, design and optimization of new materials using computer simulations.
Approach - The discovery and implementation of new materials and technologies in industry requires the fast and efficient search and prediction of material properties and functionalities. At New Materials Lab, we strive to combine first-principles electronic structure theory and multi-scale methods with the development of robust high-throughput frameworks and data-driven approaches to accelerate materials discovery.
Application - We predict and explore the optoelectronic and temperature-dependent properties of materials related to renewable energies and other technologies with a relevant impact in our society, such as thermoelectricity, solar cells, catalysis or aerospace.
