1.8k citations · 5k across the 56 of their papers we have counts for
57 papers
Heat transport in weakly anharmonic Fermi-Pasta-Ulam-Tsingou chains
Kiratholly Nandakumar Madhav Sharma, Stefano Mossa, Jean-Louis Barrat +1
We investigate anomalous heat transport in the one-dimensional -Fermi--Pasta--Ulam--Tsingou chain in the weakly anharmonic regime using large-scale equilibrium molecular dynamic…
Nonperturbative computation of thermal conductivity based on Path Integral Monte Carlo methods
Vladislav Efremkin, Stefano Mossa, Jean-Louis Barrat +1
The calculation of thermal conductivity in insulating solids at temperatures below the Debye temperature is problematic, due to the breakdown of classical and semi-classical approa…
Instantaneous normal modes in liquids: a heterogeneous-elastic-medium approach
Stefano Mossa, Taras Bryk, Giancarlo Ruocco +1
The concept of vibrational density of states in glasses has been mirrored in liquids by the instantaneous-normal-mode spectrum. While in glasses instantaneous configurations corres…
Modelling structure and ionic diffusion in a class of ionic liquid crystal-based solid electrolytes
Md Sharif Khan, Ambroise Van Roekeghem, Stefano Mossa +4
Next-generation high-efficiency Li-ion batteries require an electrolyte that is both safe and thermally stable. A possible choice for high performance all-solid-state Li-ion batter…
Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study
Ioannis Skarmoutsos, Ricardo L. Mancera, Stefano Mossa +1
The local intermolecular structure and related dynamics in the liquid cis-trans N-methylformamide mixture at ambient temperature and density conditions have been systematically stu…
Time correlation functions for quantum systems: validating Bayesian approaches for harmonic oscillators and beyond
Vladislav Efremkin, Jean-Louis Barrat, Stefano Mossa +1
The quantum harmonic oscillator is the fundamental building block to compute thermal properties of virtually any dielectric crystal at low temperatures in terms of phonons, extende…