Galli Group: Publications Latest

View All

Preprints

  1. “Probing spin-phonon interactions in silicon carbide with 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. arXiv, 1804.10996, 2018

  2. 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., 2018

Recent Publications

  1. 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

  2. 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., 2018

  3. GW100: Comparison of methods and accuracy of results obtained with the WEST code,” Marco Govoni and Giulia Galli. J. Chem. Theory. Comp., 14, 1895-1909, 2018

  4. Sterically controlled mechanochemistry under hydrostatic pressure,” Hao Yan, Fan Yang, Ding Pan, Yu Lin, J. Nathan Hohman, Diego Solis-Ibarra, Fei Hua Li, Jeremy E. P. Dahl, Robert M. K. Carlson, Boryslav A. Tkachenko, Andrey A. Fokin, Peter R. Schreiner, Giulia Galli, Wendy L. Mao, Zhi-Xun Shen & Nicholas A. Melosh. Nature, 554, 505-510, 2018

  5. Electron affinity of liquid water,” Alex Gaiduk, T. Anh Pham, Marco Govoni, Francesco Paesani, Giulia Galli . Nat. Commun., 9, 247, 2018

  6. Excitations Partition into Two Distinct Populations in Bulk Perovskites,” Lili Wang, Nicholas P. Brawand, Márton Vörös, Peter D. Dahlberg, John P. Otto, Nicholas E. Williams, David M. Tiede, Giulia Galli, Gregory S. Engel. Adv. Opt. Mater., 170095, 2018

  7. Charge Transport in Nanostructured Materials: Implementation and Verification of Constrained Density Functional Theory,” Matthew Goldey, Nicholas Brawand, Márton Vörös, Giulia Galli. J. Chem. Theory Comput., 13, 2581-2590, 2017

  8. Tuning Colloidal Quantum Dot Band Edge Positions through Solution-Phase Surface Chemistry Modification,” Daniel M. Kroupa*, Márton Vörös*, Nicholas P. Brawand, Brett W. McNichols, Elisa M. Miller, Jing Gu, Arthur J. Nozik, Alan Sellinger, Giulia Galli, Matthew C. Beard. Nat. Comms. , 8, 15257, 2017

  9. Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry,” Zachary Goldsmith, Aparna Harshan, James Gerken, Márton Vörös, Giulia Galli, Shannon Stahl, Sharon Hammes-Schiffer. Proc. Nat. Acad. Sci. USA, 114, 3050-3055, 2017

  10. Blind test of density-functional-based methods on intermolecular interaction energies ,” DeCarlos E. Taylor, János G. Ángyán, Giulia Galli, Cui Zhang, Francois Gygi, Kimihiko Hirao, Jong Won Song, Kar Rahul, O. Anatole von Lilienfeld, Rafał Podeszwa, Ireneusz W. Bulik, Thomas M. Henderson, Gustavo E. Scuseria, Julien Toulouse, Roberto Peverati, Donald G. Truhlar, and Krzysztof Szalewicz. J. Chem. Phys., 145, 124105, 2016

  11. Planarity and multiple components promote organic photovoltaic efficiency by improving electronic transport ,” M. Goldey, D. Reid, J. J. de Pablo, G. Galli. Phys. Chem. Chem. Phys., 18, 31388, 2016

  12. The Fate of Carbon Dioxide in Water-Rich Fluids at Extreme Conditions,” Ding Pan, Giulia Galli. Science Advances, 2, e1601278, 2016

  13. Generalization of dielectric dependent hybrid functionals to finite systems,” Nicholas Brawand, Márton Vörös, Marco Govoni, Giulia Galli. Phys. Rev. X, 6, 041002, 2016

  14. Quantum decoherence dynamics of divacancy spins in silicon carbide,” Hosung Seo, Abram L. Falk, Paul V. Klimov, Kevin C. Miao, Giulia Galli, David D. Awschalom. Nat. Commun., 7, 12935, 2016

  15. Novel Silicon phases and nanostructures for solar energy conversion ,” Stefan Wippermann, Yuping He, Márton Vörös, Giulia Galli. Appl. Phys. Rev. , 3, 040807, 2016

Socialize With Us