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20092024
most citedStructure and Chemistry of Graphene Oxide in Liquid Water from First Principles

285 citations

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cond-mat.stat-mech2023★ 4 cited

Ergodicity breaking and deviation from Eigenstate Thermalisation in relativistic QFT

Miha Srdinšek, Tomaž Prosen, Spyros Sotiriadis

The validity of the ergodic hypothesis in quantum systems can be rephrased in the form of the eigenstate thermalisation hypothesis (ETH), a set of statistical properties for the ma…

cond-mat.stat-mech2023★ 3 cited

Rényi entropy of quantum anharmonic chain at non-zero temperature

Miha Srdinšek, Michele Casula, Rodolphe Vuilleumier

The interplay of quantum and classical fluctuations in the vicinity of a quantum critical point (QCP) gives rise to various regimes or phases with distinct quantum character. In th…

cond-mat.stat-mech2021★ 6 cited

Quantum Rényi entropy by optimal thermodynamic integration paths

Miha Srdinšek, Michele Casula, Rodolphe Vuilleumier

Despite being a well-established operational approach to quantify entanglement, Rényi entropy calculations have been plagued by their computational complexity. We introduce here a…

cond-mat.stat-mech2020★ 21 cited

Adiabatic motion and statistical mechanics via mass zero constrained dynamics

Sara Bonella, Alessandro Coretti, Rodolphe Vuilleumier +1

In recent work [Coretti et al., The Journal of Chemical Physics, 2018, 149, 191102], a new algorithm to solve numerically the dynamics of the shell model for polarization was prese…

cond-mat.stat-mech2015★ 88 cited

Solvation free-energy pressure corrections in the Three Dimensional Reference Interaction Site Model

Volodymyr Sergiievskyi, Guillaume Jeanmairet, Maximilien Levesque +1

Solvation free energies are efficiently predicted by molecular density functionnal theory (MDFT) if one corrects the overpressure introduced by the usual homogeneous reference flui…