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Physical Chemistry Chemical Physics : PCCP|October 13, 2011
Homogeneous ice nucleation from supercooled waterTianshu Li, Davide Donadio, Giovanna Russo, et al.Journal of Chemical Theory and Computation|November 21, 2015
Ab Initio Optoelectronic Properties of Silicon Nanoparticles: Excitation Energies, Sum Rules, and Tamm-Dancoff ApproximationDario Rocca, Márton Vörös, Adam Gali, et al.Journal of Chemical Theory and Computation|November 27, 2015
First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density FunctionalsCui Zhang, Davide Donadio, François Gygi, et al.Journal of Chemical Theory and Computation|March 19, 2021
Quantum Embedding Theory for Strongly Correlated States in MaterialsHe Ma, Nan Sheng, Marco Govoni, et al.Journal of Chemical Theory and Computation|September 20, 2022
Computational Protocol to Evaluate Electron-Phonon Interactions Within Density Matrix Perturbation TheoryHan Yang, Marco Govoni, Arpan Kundu, et al.Cognitive Neuroscience|August 14, 2012
Prestimulus brain activity predicts primacy in list learningGiulia Galli, Tsee Leng Choy, Leun J OttenJournal of Chemical Theory and Computation|June 1, 2022
Green's Function Formulation of Quantum Defect Embedding TheoryNan Sheng, Christian Vorwerk, Marco Govoni, et al.Proceedings of the National Academy of Sciences of the United States of America|November 9, 2021
Probing the electronic properties of the electrified silicon/water interface by combining simulations and experimentsZifan Ye, Aleksander Prominski, Bozhi Tian, et al.Physical Review Letters|November 13, 2003
Melting of lithium hydride under pressureTadashi Ogitsu, Eric Schwegler, François Gygi, et al.Journal of Chemical Theory and Computation|November 25, 2015
Structural and Vibrational Properties of Liquid Water from van der Waals Density FunctionalsCui Zhang, Jun Wu, Giulia Galli, et al.Pageof 41