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The Journal of Physical Chemistry Letters|April 20, 2019
General Trend of a Negative Li Effective Charge in Ionic Liquid ElectrolytesNicola Molinari, Jonathan P Mailoa, Boris KozinskyChemistry of Materials : a Publication of the American Chemical Society|March 6, 2023
First-Principles Thermodynamics of CsSnI3Lorenzo Monacelli, Nicola MarzariEntropy (Basel, Switzerland)|September 28, 2021
TOLOMEO, a Novel Machine Learning Algorithm to Measure Information and Order in Correlated Networks and Predict Their StateMattia Miotto, Lorenzo MonacelliPhysical Review Letters|February 22, 2026
Vortices and Backflow in Hydrodynamic Heat TransportEnrico Di Lucente, Francesco Libbi, Nicola MarzariPhysical Review Letters|March 17, 2011
Role of disorder and anharmonicity in the thermal conductivity of silicon-germanium alloys: a first-principles studyJivtesh Garg, Nicola Bonini, Boris Kozinsky, et al.The Journal of Chemical Physics|April 27, 2023
Fast uncertainty estimates in deep learning interatomic potentialsAlbert Zhu, Simon Batzner, Albert Musaelian, et al.The Journal of Chemical Physics|November 14, 2021
The microscopic origin of the anomalous isotopic properties of ice relies on the strong quantum anharmonic regime of atomic vibrationMarco Cherubini, Lorenzo Monacelli, Francesco MauriPhysical Chemistry Chemical Physics : PCCP|October 5, 2018
Factors affecting cyclic durability of all-solid-state lithium batteries using poly(ethylene oxide)-based polymer electrolytes and recommendations to achieve improved performanceFrancesco Faglioni, Boris V Merinov, William A Goddard, et al.Physical Chemistry Chemical Physics : PCCP|December 8, 2025
Free energy barrier and thermal-quantum behavior of sliding bilayer grapheneJean Paul Nery, Lorenzo Monacelli, Francesco MauriNature Communications|May 6, 2024
Low-index mesoscopic surface reconstructions of Au surfaces using Bayesian force fieldsCameron J Owen, Yu Xie, Anders Johansson, et al.Pageof 7