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Journal of Molecular Modeling|July 6, 2023
Prediction of ionic conductivity from adiabatic heating in non-equilibrium molecular dynamics on various test systemsPhilippe Ungerer, Benoit MinisiniPhysical Chemistry Chemical Physics : PCCP|February 27, 2014
Decomposition mechanisms of trinitroalkyl compounds: a theoretical study from aliphatic to aromatic nitro compoundsGuillaume Fayet, Patricia Rotureau, Benoit MinisiniJournal of Molecular Modeling|July 14, 2023
Amorphous cis-1,4-polybutadiene P-V-T properties from atomistic simulationsAigul Shamsieva, Irina Piyanzina, Benoit MinisiniJournal of Molecular Modeling|October 6, 2007
Density functional theory characterisation of 4-hydroxyazobenzeneBenoit Minisini, Guillaume Fayet, François Tsobnang, et al.Journal of Molecular Modeling|February 4, 2015
Density functional theory calculations on azobenzene derivatives: a comparative study of functional group effectIrina Piyanzina, Benoit Minisini, Dmitrii Tayurskii, et al.Journal of Molecular Modeling|September 18, 2012
A DFT study on the initial stage of thermal degradation of Poly(methyl methacrylate)/carbon nanotube systemBenoit Minisini, Emerson Vathonne, Carine Chivas-Joly, et al.Physical Chemistry Chemical Physics : PCCP|August 19, 2024
A dual-cutoff machine-learned potential for condensed organic systems obtained <i>via</i> uncertainty-guided active learningLeonid Kahle, Benoit Minisini, Tai Bui, et al.Pageof 1