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Ab initio quasi-harmonic thermoelasticity of molybdenum at high temperature and pressure
2024-01-01 Gong, X; Dal Corso, A
Ab initio thermodynamic properties of iridium: A high-pressure and high-temperature study
2024-01-01 Thakur, Balaram; Gong, Xuejun; Dal Corso, Andrea
CFD-DEM Simulation of the Deposition of Pharmaceutical Aerosols in Human Airways
2024-10-21 Spasov, GEORGI HRISTOV
Criticality of spin systems with weak long-range interactions
2020-01-01 Defenu, N.; Codello, A.; Ruffo, S.; Trombettoni, A.
Electron energy loss spectroscopy of bulk gold with ultrasoft pseudopotentials and the Liouville-Lanczos method
2020-01-01 Motornyi, O.; Vast, N.; Timrov, I.; Baseggio, O.; Baroni, S.; Dal Corso, A.
Gauge Fixing for Heat-Transport Simulations
2020-01-01 Marcolongo, A.; Ercole, L.; Baroni, S.
Heat and charge transport in H2O at ice-giant conditions from ab initio molecular dynamics simulations
2020-01-01 Grasselli, F.; Stixrude, L.; Baroni, S.
High-pressure and high-temperature thermoelasticity of tantalum: An ab initio study
2025-01-01 Gong, X; Dal Corso, A
High-temperature and high-pressure thermoelasticity of hcp metals from ab initio quasiharmonic free energy calculations: The beryllium case
2024-01-01 Gong, Xuejun; Dal Corso, Andrea
Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach
2019-01-01 Isaeva, L.; Barbalinardo, G.; Donadio, D.; Baroni, S.
Oxidation States, Thouless' Pumps, and Nontrivial Ionic Transport in Nonstoichiometric Electrolytes
2020-01-01 Pegolo, P.; Grasselli, F.; Baroni, S.
Pressure and temperature dependent ab-initio quasi-harmonic thermoelastic properties of tungsten
2024-01-01 Gong, Xuejun; Dal Corso, Andrea
Quasilocal entanglement across the Mott-Hubbard transition
2024-01-01 Bellomia, G.; Mejuto-Zaera, C.; Capone, M.; Amaricci, A.
Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods
2020-01-01 Marcheselli, J.; Chateau, D.; Lerouge, F.; Baldeck, P.; Andraud, C.; Parola, S.; Baroni, S.; Corni, S.; Garavelli, M.; Rivalta, I.
Thermodynamic properties of rhodium—A first principle study
2024-01-01 Thakur, B.; Gong, X.; Dal Corso, A.
Topological gap opening without symmetry breaking from dynamical quantum correlations
2024-01-01 Paoletti, F.; Fanfarillo, L.; Capone, M.; Amaricci, A.
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