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Daniele Dragoni
Daniele Dragoni
Leonardo High-Performance Computing Laboratory
在 epfl.ch 的电子邮件经过验证
标题
引用次数
引用次数
年份
Achieving DFT accuracy with a machine-learning interatomic potential: thermomechanics and defects in bcc ferromagnetic iron
D Dragoni, TD Daff, G Csanyi, N Marzari
Physical Review Materials 2 (1), 013808, 2017
2692017
Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential
F Maresca, D Dragoni, G Csányi, N Marzari, WA Curtin
npj Computational Materials 4 (1), 69, 2018
852018
Thermoelastic properties of α-iron from first-principles
D Dragoni, D Ceresoli, N Marzari
PHYSICAL REVIEW B 91 (10), 104105, 2015
482015
Interfacial Layering of a Room‐Temperature Ionic Liquid Thin Film on Mica: A Computational Investigation
D Dragoni, N Manini, P Ballone
ChemPhysChem 13 (7), 1772-1780, 2012
382012
Interplay between Structural and Thermoelectric Properties in Epitaxial Sb2+xTe3 Alloys
S Cecchi, D Dragoni, D Kriegner, E Tisbi, E Zallo, F Arciprete, V Holý, ...
Advanced functional materials 29 (2), 1805184, 2019
332019
Mechanism of amorphous phase stabilization in ultrathin films of monoatomic phase change material
D Dragoni, J Behler, M Bernasconi
Nanoscale 13 (38), 16146-16155, 2021
292021
Metal-semiconductor transition in the supercooled liquid phase of the and GeTe compounds
M Cobelli, D Dragoni, S Caravati, M Bernasconi
Physical Review Materials 5 (4), 045004, 2021
172021
Statics and dynamics of multivalley charge density waves in Sb (111)
A Tamtögl, P Kraus, M Mayrhofer-Reinhartshuber, G Benedek, ...
npj Quantum Materials 4 (1), 28, 2019
142019
Vibrational and thermoelastic properties of bcc iron from selected EAM potentials
D Dragoni, D Ceresoli, N Marzari
Computational Materials Science 152, 99-106, 2018
122018
First-principles study of the liquid and amorphous phases of
D Dragoni, S Gabardi, M Bernasconi
Physical Review Materials 1 (3), 035603, 2017
112017
Density functional simulations of decomposition pathways of Ge-rich GeSbTe alloys for phase change memories
O Abou El Kheir, D Dragoni, M Bernasconi
Physical Review Materials 5 (9), 095004, 2021
102021
Structure and Crystallization Kinetics of As‐Deposited Films of the GeTe Phase Change Compound from Atomistic Simulations
S Perego, D Dragoni, S Gabardi, D Campi, M Bernasconi
physica status solidi (RRL)–Rapid Research Letters 17 (8), 2200433, 2023
72023
Structural and electronic properties of liquid, amorphous, and supercooled liquid phases of In2Te5 from first-principles
D Dragoni, M Bernasconi
The Journal of Chemical Physics 151 (13), 2019
72019
Evolution of Low‐Frequency Vibrational Modes in Ultrathin GeSbTe Films
E Zallo, D Dragoni, Y Zaytseva, S Cecchi, NI Borgardt, M Bernasconi, ...
physica status solidi (RRL)–Rapid Research Letters 15 (3), 2000434, 2021
62021
QC| HPC: Quantum for HPC
V Bartsch, GC de Verdiere, JP Nominé, D Ottaviani, D Dragoni, ...
Oct, 2021
52021
First‐Principles Calculation of Transport and Thermoelectric Coefficients in Liquid Ge2Sb2Te5
D Baratella, D Dragoni, M Bernasconi
physica status solidi (RRL)–Rapid Research Letters 16 (9), 2100470, 2022
42022
A first-principles study of the switching mechanism in GeTe/InSbTe superlattices
C Ribaldone, D Dragoni, M Bernasconi
Nanoscale Advances 2 (11), 5209-5218, 2020
42020
Gaussian approximation potentials for iron from extended first-principles database (Data Download)
D Dragoni, TD Daff, G Csányi, N Marzari
Materials Cloud Archive, v2, 2017
32017
Structural and electronic properties of the Te-Si (111) surface from first principles
D Dragoni
Physical Review B 106 (19), 195427, 2022
22022
First‐Principles Study on the Crystalline Ga4Sb6Te3 Phase Change Compound
D Baratella, D Dragoni, D Ceresoli, M Bernasconi
physica status solidi (RRL)–Rapid Research Letters 15 (3), 2000382, 2021
22021
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