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Gyanu Kafle

 

Gyanu Kafle


Short Bio: 
Gyanu Kafle is a Postdoctoral Scholar in the SAIL Group, where he works under Prof. David Strubbe. He earned his Ph.D. in Physics from the State University of New York at Binghamton. His research focuses on computational condensed matter physics, with expertise in first-principles calculations using density functional theory (DFT) and many-body perturbation theory within the GW (G= Green's function and W= screened Coulomb interaction) and Bethe–Salpeter equation (GW-BSE) framework. His interests include excited-state properties, electron–phonon interactions, and the electronic, optical, and superconducting properties of quantum materials.

Contact Details: gkafle@ucmerced.edu / gkafle1@binghamton.edu

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List of Publications:

9. A. Afugu, G. P. Kafle, and Z.-F. Liu, “First-Principles Theory of Chirality-Induced Spin Selectivity at Molecule-Metal Interfaces in Photoemission”, Nano Letters, (2026),  https://doi.org/10.1021/acs.nanolett.6c01438
8. G. P. Kafle and Z.-F. Liu, “Phonon-assisted photoluminescence of MoS2 bilayers from first principles”, Physical Review B, 113, 075150 (2026), https://doi.org/10.1103/fzwl-bjx3
7. M. Adeyemo‡, G. P. Kafle‡, and Z.-F. Liu, “Electronic structure and optical properties of surface defects in CdS quantum dots from many-body perturbation theory”, APL Computational Physics, 1, 016108 (2025). (‡M. A. and G. P. Kafle are co-first authors.), https://doi.org/10.1063/5.0278340
6. G. P. Kafle and Z.-F. Liu, “Erratum: Quasiparticle electronic structure of phthalocyanine: TMD interfaces from first-principles GW ” [J. Chem. Phys. 155, 214702 (2021)], The Journal of Chemical Physics, 161, 089901 (2024), https://doi.org/10.1063/5.0230977
5. C. R. Tomassetti‡, G. P. Kafle‡, E. Marcial, E. R. Margine, and A. N. Kolmogorov, “Prospect of high-temperature superconductivity in layered metal borocarbides”, Journal of Materials Chemistry C, 12, 4870-4884 (2024). (‡C. R. T. and G. P. Kafle are co-first authors), https://doi.org/10.1039/d4tc00210e
4. Y. Amiel‡, G. P. Kafle‡, E. V. Komleva, E. Greenberg, Y. S. Ponosov, S. Chariton, B. Lavina, D. Zhang, A. Palevski, A. V. Ushakov, H. Mori, D. I. Khomskii, I. I. Mazin, S. V. Streltsov, E. R. Margine, and G. Rozenberg, “Silvanite AuAgTe4: a rare case of gold superconducting material” Journal of Materials Chemistry C, 11(29), 10016-10024 (2023). (‡Y. A. and G. P. Kafle are co-first authors), https://doi.org/10.1039/d3tc00787a
3. G. P. Kafle, C. R. Tomassetti, I. I. Mazin, A. N. Kolmogorov, and E. R. Margine, “Ab initio study of Li-Mg-B superconductors”, Physical Review Materials, 6(8), 084801 (2022), https://doi.org/10.1103/PhysRevMaterials.6.084801
2. G. P. Kafle, C. Heil, H. Paudyal, and E. R. Margine, “Electronic, vibrational, and electron-phonon coupling properties in SnSe2 and SnS2 under pressure”, Journal of Materials Chemistry C, 8(46), 16404-16417 (2020), https://doi.org/10.1039/d0tc04356g
1. S. Dahal, G. P. Kafle, G. C. Kaphle, and N. P. Adhikari, “Study of Electronic and Magnetic Properties of CuPd, CuPt, Cu3Pd and Cu3Pt: Tight Binding Linear Muffin-Tin Orbitals Approach”, Journal of Institute of Science and Technology, 19(1), 137-144 (2014), https://doi.org/10.3126/jist.v19i1.13839