Computational Condensed Matter Physics

Roxana Margine Research Group



2019 Associate Professor of Physics, Binghamton University
2014 Assistant Professor of Physics, Binghamton University

2013 Research Assistant Professor, Binghamton University
2011 Marie Curie Fellow, University of Oxford (with F. Giustino)
2009 Postdoc, University of Oxford (with D. Pettifor)
2007 Postdoc, Claude Bernard University Lyon (with X. Blase)

2007 PhD in Physics, Penn State University (with V. Crespi)
2001 MS in Physics, University of Bucharest

Research Areas

The group focuses on the development and application of advanced computational methods for accurate description and rational design of novel superconductors.

The team has been co-developing the open-source EPW package that offers unique functionalities for modeling materials properties defined by electron-phonon interactions.

Select Awards

2021-2025: NSF CSSI award to create an advanced electronic structure modeling infrastructure

2021-2024: NSF CMMT award to develop methods for superconductivity modeling

2021-2023: NSF EAGER award to design novel superconductors

2020-2022: NSF CMMT award to organize schools on electron-phonon physics

2017-2021: NSF S2I-SSE award to advance the EPW code

2017-2022: NSF DUE award to train undergraduate students in STEM fields

2014-2015: SUNY-4E Network of Excellence grant to design new carbon-based materials

2011-2012: Marie Curie Intra-European Fellowship to develop methods for superconductivity modeling

Select Publications

Superconducting properties of MoTe2 from ab initio anisotropic Migdal-Eliashberg theory
H. Paudyal, S. Poncé, F. Giustino, and E. R. Margine, Phys. Rev. B 101, 214515 (2020)

Pressure-Induced Periodic 
              Lattice Distortion in SnSe<sub>2</sub>

Unusual Pressure-Induced Periodic Lattice Distortion in SnSe2
J. Ying, H. Paudyal, C. Heil, X.-J. Chen, V. V. Struzhkin, and E. R. Margine,
Phys. Rev. Lett. 121, 027003 (2018)

Pressure-Induced Periodic 
              Lattice Distortion in SnSe<sub>2</sub>

Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors
S. Poncé, E. R. Margine, and F. Giustino, Phys. Rev. B 97, 121201(R) (2018)

Towards predictive many-body 
              calculations of phonon-limited carrier mobilities in semiconductors

Origin of Superconductivity and Latent Charge Density Wave in NbS2
C. Heil, S. Poncé, H. Lambert, M. Schlipf, E. R. Margine, and F. Giustino,
Phys. Rev. Lett. 119, 087003 (2017)

Origin of Superconductivity 
              and Latent Charge Density Wave in NbS<sub>2</sub

EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions
S. Poncé, E. R. Margine, C. Verdi, and F. Giustino, Comput. Phys. Commun. 209, 116 (2016)

EPW: Electron–phonon coupling, transport and 
              superconducting properties using maximally localized Wannier functions

Research Sponsors