Roxana Margine is an expert in the development and application of first principles electronic structure methods for modeling structural, electronic, superconducting and transport properties of materials at the atomic scale. Since 2011, she has been on the development team of the open-source software project EPW. She introduced a computational method for describing conventional superconductors that combines the anisotropic Eliashberg formalism with the Wannier functions-based interpolation approach.
Before joining Binghamton University,Margine held two post-doctoral positions at the University of Lyon (2007-2008) and the University of Oxford (2009-2012), and was a Marie Curie Fellow (2011-2012).
- NPJ Computational Materials 9, 156 (2023) Electron-phonon physics from first principles using the EPW code, H. Lee, S. Poncé, K. Bushick, S. Hajinazar, J. Lafuente-Bartolomé, J. Leveillee, C. Lian, J.-M. Lihm, F. Macheda, H. Mori, H. Paudyal, W. H. Sio, S. Tiwari, M. Zacharias, X. Zhang, N. Bonini, E. Kioupakis, E. R. Margine and F. Giustino
- NPJ Computational Materials 9, 66 (2023) Electron-phonon coupling and spin fluctuations in the Ising superconductor NbSe2, S. Das, H. Paudyal, E. R. Margine, D. F. Agterberg and I. I. Mazin
- Physical Review Materials 6, 084801 (2022) Ab initio study of Li-Mg-B superconductors, G. P. Kafle, C. R. Tomassetti, I. I. Mazin, A. N. Kolmogorov and E. R. Margine
- Physical Review Research 3, 043022 (2021) First-principles predictions of Hall and drift mobilities in semiconductors, S. Poncé, F. Macheda, E. R. Margine, N. Marzari, N. Bonini and F. Giustino
- Computer Physics Communications 209, 116 (2016) EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions, S. Poncé, E. R. Margine, C. Verdi and F. Giustino
- PhD, Pennsylvania State University
- MS, University of Bucharest (Romania)
- Materials modelling
- First-principles calculations
- Phonon-limited superconductivity
- Carrier transport
- Sustainable software development