arXiv 2018-04-24 EN Pauling entropy, metastability and equilibrium in Dy₂Ti₂O₇ spin ice Giblin, S. R. · Twengström, M. · Bovo, L. · Ruminy, M. +16
arXiv 2016-07-21 EN Spin-charge transformation of lattice fermion models: duality approach for diagrammatic simulation of strongly correlated systems Carlström, Johan
arXiv 2015-11-13 EN Solvation free-energy pressure corrections in the Three Dimensional Reference Interaction Site Model Sergiievskyi, Volodymyr · Jeanmairet, Guillaume · Levesque, Maximilien · Borgis, Daniel
arXiv 2015-09-04 EN Pressure Correction in Classical Density Functional Theory: Hyper Netted Chain and Hard Sphere Bridge Functionals Sergiievskyi, Volodymyr · Jeanmairet, Guillaume · Levesque, Maximilien · Borgis, Daniel
arXiv 2014-10-27 EN Reactive Programming of Simulations in Physics Boussinot, Frédéric · Monasse, Bernard · Susini, Jean-Ferdy
arXiv 2014-10-07 EN Quantum model of a solid-state spin qubit: Ni cluster on a silicon surface by the generalized spin Hamiltonian and X-ray absorption spectroscopy investigations Farberovich, Oleg V. · Mazalova, Victoria L. · Soldatov, Alexander V.
arXiv 2014-06-11 EN Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections Sergiievskyi, Volodymyr P. · Jeanmairet, Guillaume · Levesque, Maximilien · Borgis, Daniel
arXiv 2013-12-06 EN Anomalous magneto-structural behavior of MnBi explained: a path towards an improved permanent magnet Zarkevich, N. A. · Wang, L. -L. · Johnson, D. D.
arXiv 2012-10-31 EN Empirical tight binding parameters for GaAs and MgO with explicit basis through DFT mapping Tan, Yaohua · Povolotskyi, Michael · Kubis, Tillmann · He, Yu +3
arXiv 2012-07-23 EN Free Energies by Thermodynamic Integration Relative to an Exact Solution, Used to Find the Handedness-Switching Salt Concentration for DNA Berryman, Joshua T. · Schilling, Tanja
arXiv 2012-02-17 EN Multiscale non-adiabatic dynamics with radiative decay, case study on the post-ionization fragmentation of rare-gas tetramers Janeček, Ivan · Janča, Tomáš · Naar, Pavel · Renard, Frederic +2
