selected publications
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academic article
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Efficient First-Principles Calculation of Phonon-Assisted Photocurrent in Large-Scale Solar-Cell Devices.
Physical Review Applied.
10.
2018
Complex band structure and electronic transmission eigenchannels.
The Journal of Chemical Physics.
147.
2017
Determination of low-strain interfaces via geometric matching.
Physical Review B.
96.
2017
Electron-phonon scattering from Green's function transport combined with molecular dynamics: Applications to mobility predictions.
Physical Review B.
95.
2017
First-principles electron transport with phonon coupling: Large scale at low cost.
Physical Review B.
96.
2017
Interface band gap narrowing behind open circuit voltage losses in Cu2ZnSnS4 solar cells.
Applied Physics Letters.
110.
2017
First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials.
Physical Review B.
93.
2016
General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function.
Physical Review B.
93.
2016
Inelastic vibrational signals in electron transport across graphene nanoconstrictions.
Physical Review B.
93.
2016
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conference paper
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First-principles method for the phonon-limited resistivity of metals
2018
New Approaches for First-Principles Modelling of Inelastic Transport in Nanoscale Semiconductor Devices with Thousands of Atoms
2017
Atomistic Approach for Modeling Metal-Semiconductor Interfaces
2016
Semiconductor Band Alignment from First Principles: A New Nonequilibrium Green's Function Method Applied to the CZTSe/CdS Interface for Photovoltaic
2016
MObility and Bulk Electron-Phonon Interaction in Two-Dimensional Materials
2015