TU Wien

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TU Wien (TUW) is located in the heart of Europe, in a cosmopolitan city of great cultural diversity. For more than 200 years, TU Wien has been a place of research, teaching and learning in the service of progress. TU Wien is among the most successful technical universities in Europe and is, with approximately 30 000 students, Austria’s largest scientific-technical research and educational institution.

The Department for Theoretical Materials Chemistry at the Institute of Materials Chemistry is headed by Professor Georg Madsen and develops and applies electronic structure and scale bridging methods. The current focus is on density functional theory, thermal and electric transport properties and discovery and understanding of new materials.

Contributors to ALMA

Georg Madsen

Professor Georg Madsen leads the Department for Theoretical Materials Chemistry. He is an author of the BoltzTraP code as well as being a co-author of the widely used DFT codes WIEN2k and GPAW. Prof. Georg Madsen has been cited more than 13 000 times and has an h-index of 33. 14 of his papers have been cited more than 100 times each.

Jesús Carrete

Dr. Jesús Carrete is a Senior Scientist at the Department for Theoretical Materials Chemistry. His current research is centered on predictive thermal conductivity calculations and the development of density functional theory codes. He has ample experience in the design, implementation, testing and application of software for obtaining materials’ properties using both classical and quantum approaches. He has tackled diverse categories of key materials including ionic liquids, semiconductor nanostructures and graphene. He has published more than 60 papers and has an h-index of 22.

Bonny Dongre

M.Sc. Bonny Dongre focuses on the simulation of thermal conductivity using molecular dynamics and the atomistic Green’s function method.