CEA Grenoble

Logo of CEA Grenoble

CEA (the French Atomic and Alternative Energy Commission) is an internationally recognized technological research organization in the domains of energy, information and health technologies, and defense. The LITEN institute hosting this project focuses on the research and development of advanced materials and nanomaterials for industrial applications, with over 1000 employees and a turnover of 150 M€ in 2013.

The Materials Theory group at LITEN, CEA-Grenoble was created by Natalio Mingo in 2007. This group focuses on the theoretical understanding and modelling of novel materials, with an emphasis on energy applications. The group is known for its pioneering work in ab-initio thermal transport, phonon atomistic Green’s functions, and thermoelectric properties of nanostructured materials. The group maintains fruitful collaborations with other theoretical and experimental laboratories, particularly in the U.S., and its members have authored many high impact international publications in the fields of thermal transport, as well as several patents on materials. In 2014, the group released ShengBTE, a solver of the phonon BTE for bulk crystals and one of the sources of inspiration for this project.

Group members actively contributing to the ALMA project

Natalio Mingo

Dr. Natalio Mingo leads the materials theory group at LITEN, CEA-Grenoble since 2007. Prior to this appointment he was a staff scientist at NASA Ames Research Center in California (2000-2006). Dr. Mingo has been the principal investigator on numerous research projects on thermoelectrics, funded by the US National Science Foundation, NASA, and the EU, among others. Dr. Mingo has authored over 120 publications in peer reviewed journals.

Bjorn Vermeersch

Dr. Bjorn Vermeersch is a research associate at LITEN, CEA-Grenoble. Through his previous research appointments at Ghent University, UC Santa Cruz, and Purdue, he has gathered nearly a decade of both theoretical and experimental experience in thermal transport in electronic devices and semiconductor materials. Bjorn’s contributions to almaBTE include the design and implementation of the analytic1D and beyondRTA modules, major improvements to the 1D Monte Carlo solver for multilayer substrates, and the development of multidimensional simulators for LED and finFET devices. He has co-authored over 30 peer-reviewed journal articles and presented at over 40 conferences and technology workshops across Europe and the US.

Fleur Legrain

Dr. Fleur Legrain has been a research fellow at LITEN (CEA-Grenoble) since June 2016, after her PhD graduation from NUS (Singapore).  During her thesis she used quantum approaches to search for new electrode materials for Na- and Mg-ion batteries. At LITEN, she is working on the high-throughput search of new materials for energy-related applications. She also contributes to ALMA’s material database.

Ankita Katre

Dr. Ankita Katre is a research associate at LITEN, CEA-Grenoble. She completed her Ph.D in the field of thermal transport under the guidance of Prof. Georg K.H. Madsen from ICAMS, Germany as Max Planck Ph.D. Fellow in 2015.  During her Ph.D she developed simplified potentials exploring  the thermal properties in nanostructured materials. Her present research thrust revolves around the thermal transport in 2D materials in close collaborations with research groups from Boston College,  Ohio State University and UT Austin in USA. She is also actively involved in the development of  ALMA-BTE code, specifically in the implementation of defect scattering routines.

Ambroise van Roekeghem

Dr. Ambroise van Roekeghem is a staff scientist at LITEN (CEA-Grenoble), working on academic and industrial research projects in materials science and solid-state physics. He obtained a joint PhD from the Ecole Polytechnique (France) and the University of the Chinese Academy of Sciences (PRC) in 2014, and 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.