Welcome to the ERMES group, a costituent member of the AFLOW consortium. Our research activities are focused on the application of ab initio elEctRonic structure techniques to the theoretical study of important aspects of the physics of MatErialS. Current research programs focus on various aspects in the fields of computational materials and high performance simulations, such as: materials and processes for energy and environment applications, nano-catalysis, molecular electronics at the nanoscale and quantum electronic and thermal transport in molecules and molecular materials; design of novel electronic devices; physics and chemistry at interfaces and surfaces; theoretical developments of ab initio DFT-based methods, high-throughput techniques in materials genomics and computational materials design. We are members of the AFLOW consortium, a distributed materials genome properties repository from high-throughput ab-initio calculation. The ERMES group is also one of the representative members of the QUANTUM ESPRESSO Foundation, a foundation that fosters and supports the design, implementation, maintenance, and free dissemination of high-quality, high-performance open-source scientific software for ab-initio quantum numerical modeling of materials.

NEWS! Honored to be the featured member of Art & Science Collaborations, Inc. for the month of December 2015! Learn more at www.asci.org!

NEWS! Check out my new project on Music, Science and Data-Driven composition at www.materialssoundmusic.com!

NEWS! Listen to an interview with Stefano Curtarolo from Duke University and Marco Buongiorno Nardelli from the University of North Texas about sharing materials science data at MaterialsToday!

NEWS! Marco Buongiorno Nardelli has been named UNT Distinguished Research Professor !

NEWS! UNT will host the 26th Annual Workshop on Recent Developments in Electronic Structure Theory, ES14, on May 19-21!

NEWS! Enjoy QE-Box, a portable Quantum ESPRESSO solution!

NEWS! Read our review article on computational materials design on Nature Materials!

NEWS! University research backed by Department of Defense





Page created and maintained by M. Buongiorno Nardelli. Last updated: September 1, 2015.