Sfoglia per SSD
Alchemical Metadynamics: Adding Alchemical Variables to Metadynamics to Enhance Sampling in Free Energy Calculations
2023-01-01 Hsu, Wei-Tse; Piomponi, Valerio; Merz, Pascal T; Bussi, Giovanni; Shirts, Michael R.
All-atom folding simulations of the villin headpiece from stochastically selected coarse-grained structures
2004-01-01 DE MORI, G. M. S.; Micheletti, Cristian; Colombo, G.
All-Electron Quantum Monte Carlo with Jastrow Single Determinant Ansatz: Application to the Sodium Dimer
2019-01-01 Nakano, K.; Maezono, R.; Sorella, S.
alpha beta phase transition in tin: A theoretical study based on density-functional perturbation theory
1998-01-01 Pavone, P.; Baroni, S.; De Gironcoli, S.
Amyloid beta Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies
2015-01-01 Nasica-Labouze, Jessica Rebecca Nadia; Nguyen, P. H.; Sterpone, F.; Berthoumieu, O.; Buchete, N. V.; Coté, S.; De Simone, A.; Doig, A. J.; Faller, P.; Garcia, A.; Laio, Alessandro; Li, M. S.; Melchionna, Simone; Mousseau, N.; Mu, Y.; Paravastu, A.; Pasquali, S.; Rosenman, D. J.; Strodel, B.; Tarus, B.; Viles, J. H.; Zhang, T.; Wang, C.; Derreumaux, P.
Analysis of methane-to-methanol conversion on clean and defective Rh surfaces
2006-01-01 Fratesi, G.; de Gironcoli, Stefano Maria
Analytic solution of the domain-wall nonequilibrium stationary state
2018-01-01 Collura, Mario; De Luca, Andrea; Viti, Jacopo
An analytic theory of shallow networks dynamics for hinge loss classification*
2021-01-01 Pellegrini, F; Biroli, G
Analytic understanding and control of dynamical friction
2018-01-01 Panizon, Emanuele; Santoro, Giuseppe E.; Tosatti, Erio; Riva, Gabriele; Manini, Nicola
Analyticity of the Sinai-Ruelle-Bowen measure for a class of simple Anosov flows
2007-01-01 Amaricci, A.; Bonetto, F.; Falco, P.
Analyzing and Biasing Simulations with PLUMED
2019-01-01 Bussi, G.; Tribello, G. A.
Anharmonic effects in crystals from density functional perturbation theory.
1993-10-01
Anharmonic Phonon Lifetimes in Semiconductors from Density-Functional Perturbation Theory
1995-01-01 Debernardi, A.; Baroni, S.; Molinari, E.
Anisotropic long-range spin systems
2016-01-01 Defenu, Nicolò; Trombettoni, Andrea; Ruffo, Stefano
Anisotropic thermal expansion in silicates: A density functional study of beta-eucryptite and related materials
2000-01-01 Lichtenstein, A. I.; Jones, R. O.; de Gironcoli, S.; Baroni, S.
Anisotropy of the dc conductivity due to orbital-selective spin fluctuations in the nematic phase of iron superconductors
2019-01-01 Fernandez-Martin, R.; Fanfarillo, L.; Benfatto, L.; Valenzuela, B.
Anisotropy of the superconducting fluctuations in multiband superconductors: The case of LiFeAs
2014-01-01 Fanfarillo, L.; Benfatto, L.
Anomalous Pressure-Induced Transition(s) in Ice XI
2004-01-01 Umemoto, K.; Wentzcovitch, R. M.; Baroni, Stefano; de Gironcoli, Stefano Maria
Anomalous superconductivity and its competition with antiferromagnetism in doped Mott insulators
2008-01-01 Kancharla, Ss; Kyung, B; Senechal, D; Civelli, M; Capone, Massimo; Kotliar, G; Tremblay, Ams
Anomalous thermodynamic properties in ferropericlase throughout its spin crossover transition
2009-01-01 Wu, Z.; Justo, J. F.; Da Silva, C. R. S.; de Gironcoli, Stefano Maria; Wentzcovitch, R. M.
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