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Physical Review Letters|December 27, 2015
First-Principles Framework to Compute Sum-Frequency Generation Vibrational Spectra of Semiconductors and InsulatorsQuan Wan, Giulia GalliNature Communications|January 23, 2020
A first principles method to determine speciation of carbonates in supercritical waterDing Pan, Giulia GalliFrontiers in Neurology|April 20, 2019
Action Observation for Neurorehabilitation in ApraxiaMariella Pazzaglia, Giulia GalliPhysical Review Letters|June 1, 2004
Ab initio calculations in a uniform magnetic field using periodic supercellsWei Cai, Giulia GalliPhysical Review Letters|June 29, 2006
X-ray absorption spectra of water from first principles calculationsDavid Prendergast, Giulia GalliThe Journal of Physical Chemistry Letters|July 3, 2025
Disentangling Conformational and Electronic Effects in Polymerized Acceptors for All-Polymer Solar CellsDiego Sorbelli, Giulia GalliThe Journal of Chemical Physics|July 9, 2021
Data-driven equation for drug-membrane permeability across drugs and membranesArghya Dutta, Jilles Vreeken, Luca M Ghiringhelli, et al.Nature Communications|July 19, 2018
Insightful classification of crystal structures using deep learningAngelo Ziletti, Devinder Kumar, Matthias Scheffler, et al.Physical Review Letters|July 1, 2022
Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of Hydrogen at Si(100)Yuanyuan Zhou, Chunye Zhu, Matthias Scheffler, et al.The Journal of Chemical Physics|September 18, 2023
Recent advances in the SISSO method and their implementation in the SISSO++ codeThomas A R Purcell, Matthias Scheffler, Luca M GhiringhelliPageof 57