People

Current team members

Natalio Mingo

Dr. Natalio Mingo founded the materials theory group at LITEN, CEA-Grenoble in 2007. Prior to this appointment he was a staff scientist at NASA Ames Research Center in California (2000-2006). He has been the principal investigator on numerous research projects funded by the US National Science Foundation, NASA, and the EU, among others. Dr. Mingo has authored numerous publications. He is also the originator of the shengBTE and almaBTE software projects.

Ambroise van Roekeghem

Staff scientist since 2017. He obtained a joint PhD in physics from the Ecole Polytechnique (France) and the University of the Chinese Academy of Sciences (PRC) in 2014, for which he was awarded 2 prizes. His main research interests focus on new materials for energy-related applications, high-throughput screening, the impact of temperature on physical properties, and strongly correlated materials.

Gracie Chaney

Postdoctoral researcher since 2022. She obtained her PhD in 2022 from the University of Maryland. Her research interests include engineering electrode and electrolyte materials for next-generation batteries and fuel cells using density functional theory (DFT), GW approximation, quantum monte carlo (QMC), and machine learning. Also branching out into other fields that involve computational simulation, such as CO₂ reduction and hydrocarbon synthesis.

Carlos Polanco

Research associate since 2021, he holds a PhD in Electrical Engineering from the University of Virginia, in 2016. He was a postdoctoral fellow at ORNL from 2016-2019, and then a staff scientist at Sivananthan Laboratories, Bolingbrook, Il (USA) 2019-2021. His current research interests include thermal transport modeling, Green's functions methods, and the theory of semiconductor materials.

Joël Martin Dalmas

Graduate student since 2020. His current work focuses on understanding the ionic conductivity of hybrid polymer/nanoparticle electrolytes, using molecular dynamics simulations.