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cond-mat.soft2023
Mechanical activation of reversible bonds by low amplitude high frequencies excitations
Maziar Heidari, Théophile Gaichies, Ludwik Leibler +1
Reversible covalent or supramolecular bonds play an important role in materials science and in biological systems. The equilibrium between open and closed bonds and the association…
cond-mat.soft2018
Spatially Resolved Thermodynamic Integration: An Efficient Method to Compute Chemical Potentials of Dense Fluids
Maziar Heidari, Kurt Kremer, Robinson Cortes-Huerto +1
Many popular methods for the calculation of chemical potentials rely on the insertion of test particles into the target system. In the case of liquids and liquid mixtures, this pro…