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Nature Communications|May 21, 2026
Laser-driven ferroelectricity in SrTiO3 via quantum fluctuation quenchingFrancesco Libbi, Lorenzo Monacelli, Boris KozinskyScience Advances|September 12, 2025
Nonequilibrium quantum dynamics in SrTiO3 under impulsive THz radiation with machine learningFrancesco Libbi, Anders Johansson, Boris Kozinsky, et al.Npj Computational Materials|April 21, 2025
Atomistic simulations of out-of-equilibrium quantum nuclear dynamicsFrancesco Libbi, Anders Johansson, Lorenzo Monacelli, et al.The Journal of Physical Chemistry. B|March 14, 2020
Chelation-Induced Reversal of Negative Cation Transference Number in Ionic Liquid ElectrolytesNicola Molinari, Boris KozinskyPhysical Review Letters|May 23, 2006
Static dielectric properties of carbon nanotubes from first principlesBoris Kozinsky, Nicola MarzariJournal of Chemical Theory and Computation|March 2, 2022
CIDER: An Expressive, Nonlocal Feature Set for Machine Learning Density Functionals with Exact ConstraintsKyle Bystrom, Boris KozinskyPhysical Chemistry Chemical Physics : PCCP|October 14, 2014
Computational Raman spectroscopy of organometallic reaction products in lithium and sodium-based battery systemsRoel S Sánchez-Carrera, Boris KozinskyJournal of Chemical Theory and Computation|August 23, 2024
Training Machine-Learned Density Functionals on Band GapsKyle Bystrom, Stefano Falletta, Boris KozinskyNpj Computational Materials|July 16, 2026
Exploring charge density waves in two-dimensional NbSe2 with machine learningNorma Rivano, Francesco Libbi, Chuin Wei Tan, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 30, 2014
Insights and challenges of applying the GW method to transition metal oxidesGeorgy Samsonidze, Cheol-Hwan Park, Boris KozinskyPageof 7