Sfoglia per SSD
Density functional perturbation theory for lattice dynamics with fully relativistic ultrasoft pseudopotentials: the magnetic case
2019-01-01 Urru, A.; Dal Corso, A.
Density functional theory without orbitals: a path towords very large scale electronic structure calculations
1992-04-01
Density Peak clustering of protein sequences associated to a Pfam clan reveals clear similarities and interesting differences with respect to manual family annotation
2021-01-01 Russo, E. T.; Laio, A.; Punta, M.
Density-functional perturbation theory for quasi-harmonic calculations
2010-01-01 Baroni, Stefano; Giannozzi, Paolo; Isaev, Eyvaz
Density-functional theory of the dielectric constant: gradient-corrected calculation for silicon
1994-01-01 Dal Corso, A.; Baroni, S.; Resta, R.
Density-tunable pathway complexity in a minimalistic self-assembly model
2022-01-01 Becchi, Matteo; Capelli, Riccardo; Perego, Claudio; Pavan, Giovanni M; Micheletti, Cristian
Dependence of the crystal lattice constant on isotopic composition: Theory and ab initio calculations for C, Si, and Ge
1994-01-01 Pavone, P.; Baroni, S.
Design of a Mott Multiferroic from a Nonmagnetic Polar Metal
2015-01-01 Puggioni, D; Giovannetti, G; Capone, Massimo; Rondinelli, J. M.
Designing High-Affinity Peptides for Organic Molecules by Explicit Solvent Molecular Dynamics
2015-01-01 Gladich, Ivan; Rodriguez, A.; Hong Enriquez, Rolando Pablo; Guida, Filomena; Berti, Federico; Laio, Alessandro
Destruction of Kondo correlations in a four electron quantum dot withspin-orbit interactions
2010-01-01 Lucignano, P; Fabrizio, Michele; Tagliacozzo, A.
Detecting a preformed pair phase: Response to a pairing forcing field
2016-01-01 Tagliavini, A.; Capone, Massimo; Toschi, Alessandro
Determination of Structural Ensembles of Proteins: Restraining vs Reweighting
2018-01-01 Rangan, Ramya; Bonomi, Massimiliano; Heller, Gabriella T.; Cesari, Andrea; Bussi, Giovanni; Vendruscolo, Michele
Deterministic and stochastic quantum annealing approaches
2005-01-01 Demian, Battaglia; Lorenzo, Stella; Osvaldo, Zagordi; Santoro, Giuseppe Ernesto; Erio, Tosatti
Developing a Neural Network potential to investigate interface phenomena in solid-phase epitaxy
2021-01-01 Lot, R; Martin-Samos, L; de Gironcoli, S; Hemeryck, A
DFT and TB study of the geometry of hydrogen adsorbed on graphynes
2014-01-01 Lee, H.; Koo, J.; Capone, Massimo; Kwon, Y.; Lee, H.
DFT study of a weakly pi-bonded C2H4 on oxygen-covered Ag(100)
2006-01-01 Kokalj, A.; Dal Corso, A.; de Gironcoli, S.; Baroni, S.
Dielectric and Thermal Effects on the Optical Properties of Natural Dyes: A Case Study on Solvated Cyanin
2011-01-01 Malcioglu, O. B.; Calzolari, A.; Gebauer, R.; Varsano, D.; Baroni, S.
Dielectric band structure of crystals: General properties and calculations for silicon
1981-01-01 Car, R.; Tosatti, E.; Baroni, S.; Leelaprute, S.
Dielectric constant boost in amorphous sesquioxides
2008-01-01 Delugas, Pietro Davide; Fiorentini, V; Filippetti, A.
Diisopropylammonium Bromide Is a High-Temperature Molecular Ferroelectric Crystal
2013-01-01 Fu, Da Wei; Cai, Hong Ling; Liu, Yuanming; Ye, Qiong; Zhang, Wen; Zhang, Yi; Chen, Xue Yuan; Giovannetti, G; Capone, Massimo; Li, Jiangyu; Xiong, Ren Gen
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