Table of Contents

Introduction.- Electronic bandstructure methods.- Phonon spectrum methods.- Electronic and phononic transport methods for complex materials.- Electronic and phononic transport methods for nanostructured materials.- Machine learning techniques and materials screening (tentative).- Summary and concluding remarks.

About the Author

Neophytos Neophytou received his Ph.D. in Electrical and Computer Engineering from Purdue University, West Lafayette, IN, USA, in 2008. From 2008-2013 he was with the Institute of Microelectronics at the Technical University of Vienna in Austria. In 2013 he joined the School of Engineering at the University of Warwick, UK. His main specializations are in the theory, computational modelling and simulation of electronic and thermal transport in nanomaterials and nanodevices. His research interests include thermoelectric transport phenomena in complex band structure and nanostructured materials for energy conversion and generation applications. He is the author of more than 80 journal publications in computation of materials and devices, and over 130 papers in conference proceedings. In 2015, he was awarded an ERC Starting Grant by the European Commission.