Galli Group: Publications Latest

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  1. Spin coherence in two dimensional materials,” Meng Ye, Hosung Seo and Giulia Galli . NPJ Comp. Mat. , 5, 1-6,

  2. “All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids,” Krishnendu Ghosh, He Ma, Vikram Gavini and Giulia Galli . Phys. Rev. Mat. , 3, 043801, 2019

  3. Qresp, A Tool for Curating, Discovering, and Exploring Reproducible Scientific Papers,” Marco Govoni, Milson Munakami, Aditya Tanikanti, Jonathan H. Skone, Hakizumwami B. Runesha, Federico Giberti, Juan de Pablo, Giulia Galli. Scientific Data, 6, 190002, 2019

  4. A Finite-field Approach for GW Calculations Beyond the Random Phase Approximation ,” He Ma, Marco Govoni, Francois Gygi and Giulia Galli. J. Chem. Theory. Comp., 15, 154-164, 2019

  5. Coupling First Principles Calculations of Electron-Electron and Electron-Phonon Scattering, and Applications to Carbon-based Nanostructures,” Ryan L. McAvoy, Marco Govoni, and Giulia Galli . J. Chem. Theory. Comp., 14, 6269-6275, 2018

  6. The role of point defects in enhancing the conductivity of BiVO4 ,” Hosung Seo, Yuan Ping, and Giulia Galli. Chem. Mat., 30, 7793-7802, 2018

  7. The role of defects and excess surface charges at finite temperature for optimizing oxide photoabsorbers,” Matteo Gerosa, Francois Gygi, Marco Govoni and Giulia Galli . Nature Materials, 17, 1122-1127, 2018

  8. Dielectric properties of condensed systems composed of fragments,” Ding Pan, Marco Govoni, Giulia Galli. J. Chem. Phys. , 149, 051101, 2018

  9. Surface chemistry and buried interfaces in all-inorganic nanocrystalline solids,” Emilio Scalise, Vishwas Srivastava, Eric Janke, Dmitri Talapin, Giulia Galli, Stefan Wippermann . Nat. Nanotech., 13, 841–848 , 2018

  10. Ab Initio Spectroscopy and Ionic Conductivity of Water under Earth Mantle Conditions,” Viktor Rozsa, Ding Pan, Federico Giberti, Giulia Galli. Proc. Nat. Acad. Sci., 115, 6952-6957, 2018

  11. “Qresp, a tool for curating, discovering and exploring reproducible scientific papers,” Marco Govoni, Milson Munakami, Aditya Tanikanti, Jonathan H. Skone, Hakizumwami B. Runesha, Federico Giberti, Juan de Pablo, and Giulia Galli.

  12. “Intra-molecular Charge Transfer and Electronic Delocalization in Non-fullerene Organic Solar Cells,” Qinghe Wu, Donglin Zhao, Matthew B. Goldey, Alexander S. Filatov, Valerii Sharapov, Yamil J. Colon, Zhengxu Cai, Wei Chen, Juan de Pablo, Giulia Galli, Luping Yu. ACS Apply. Mater. Interfaces, 10, 10043-10052, 2018

  13. “Spin-phonon interactions in silicon carbide addressed by Gaussian acoustics,” S. J. Whiteley, G. Wolfowicz, C. P. Anderson, A. Bourassa, H. Ma, M. Ye, G. Koolstra, K. J. Satzinger, M. V. Holt, F. J. Heremans, A. N. Cleland, D. I. Schuster, G. Galli, D. D. Awschalom. Nature Physics, 15, 490–495, 2019

  14. First-Principles Simulations of Liquid Water Using a Dielectric-Dependent Hybrid Functional,” Alex Gaiduk, Jeffrey Gustafson, Francois Gygi, and Giulia Galli. J. Phys. Chem. Lett., 9, 3068-3073, 2018

  15. Hierarchical Coupling of First Principles Molecular Dynamics with Advanced Sampling Methods,” Emre Sevgen, Federico Giberti, Hythem Sidky, Jonathan Whitmer, Giulia Galli, Francois Gygi, and Juan de Pablo. J. Chem. Theory Comput., 14, 6, 2018

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