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Articles: 2'506'133
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27 April 2024
 
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Results 1 to 20 of 127 for query "Nicola Marzari". (0.00 sec.)

[    1    2    3    4    5    7    ]   Next

1.
Maximally-localized Wannier Functions in Antiferromagnetic MnO within the FLAPW Formalism
Michel Posternak; Alfonso Baldereschi; Sandro Massidda; Nicola Marzari;
9 Mar 2002
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2.
Maximally-localized Wannier functions for entangled energy bands
Ivo Souza; Nicola Marzari; David Vanderbilt;
5 Aug 2001
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3.
Thermal Contraction and Disordering of the Al(110) Surface
Nicola Marzari; David Vanderbilt; Alessandro De Vita; M.C. Payne ( Department of Physics; Astronomy; Rutgers University; INFM; Department of Material Engineering; Applied Chemistry; University of Trieste; Cavendish Laboratory;
9 Mar 1999
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4.
Maximally-localized Wannier functions for disordered systems: application to amorphous silicon
Pier Luigi Silvestrelli; Nicola Marzari; David Vanderbilt; Michele Parrinello;
2 Apr 1998
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5.
Generalization of Fourier's law into viscous heat equations
Michele Simoncelli; Nicola Marzari; Andrea Cepellotti;
24 Jun 2019
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6.
Novel materials in the Materials Cloud 2D database
Davide Campi; Nicolas Mounet; Marco Gibertini; Giovanni Pizzi; Nicola Marzari;
20 Oct 2022
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7.
Bloch's theorem in orbital-density-dependent functionals: band structures from Koopmans spectral functionals
Riccardo De Gennaro; Nicola Colonna; Edward Linscott; Nicola Marzari;
18 Nov 2021
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8.
First-principles predictions of Hall and drift mobilities in semiconductors
Samuel Ponce; Francesco Macheda; Elena Roxana Margine; Nicola Marzari; Nicola Bonini; Feliciano Giustino;
10 May 2021
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9.
Abundance of $mathbb{Z}_2$ topological order in exfoliable two-dimensional insulators
Antimo Marrazzo; Marco Gibertini; Davide Campi; Nicolas Mounet; Nicola Marzari;
22 Aug 2019
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10.
Band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water
Nicolas G. Hörmann; Zhendong Guo; Francesco Ambrosio; Oliviero Andreussi; Alfredo Pasquarello; Nicola Marzari;
3 Apr 2019
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11.
Solvent-aware Interfaces in Continuum Solvation
Oliviero Andreussi; Nicolas Georg Hörmann; Francesco Nattino; Giuseppe Fisicaro; Stefan Goedecker; Nicola Marzari;
23 Jan 2019
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12.
Enhanced electron-phonon interaction in multi-valley materials
Evgeniy Ponomarev; Thibault Sohier; Marco Gibertini; Helmuth Berger; Nicola Marzari; Nicolas Ubrig; Alberto F. Morpurgo;
23 Jan 2019
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13.
Screening in orbital-density-dependent functionals
Nicola Colonna; Ngoc Linh Nguyen; Andrea Ferretti; Nicola Marzari;
13 Nov 2017
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14.
Koopmans-compliant spectral functionals for extended systems
Ngoc Linh Nguyen; Nicola Colonna; Andrea Ferretti; Nicola Marzari;
28 Aug 2017
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15.
Seamlessly share computed materials properties with their full provenance: Integration of AiiDA and TCOD
Andrius Merkys; Giovanni Pizzi; Nicolas Mounet; Andrea Cepellotti; Saulius Gražulis; Nicola Marzari;
27 Jun 2017
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16.
Donor and acceptor levels of organic photovoltaic compounds from first principles
Ismaila Dabo; Andrea Ferretti; Cheol-Hwan Park; Nicolas Poilvert; Yanli Li; Matteo Cococcioni; Nicola Marzari;
30 Oct 2012
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17.
Variational Minimization of Orbital-dependent Density Functionals
Cheol-Hwan Park; Andrea Ferretti; Ismaila Dabo; Nicolas Poilvert; Nicola Marzari;
29 Aug 2011
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18.
Dominant Phonon Wavevectors and Strain-induced Splitting of the 2D Graphene Raman Mode
Rohit Narula; Nicola Bonini; Nicola Marzari; Stephanie Reich;
25 Feb 2011
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19.
Automated quantum conductance calculations using maximally-localised Wannier functions
Matthew Shelley; Nicolas Poilvert; Arash A Mostofi; Nicola Marzari;
19 Jan 2011
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20.
Koopmans' condition for density-functional theory
Ismaila Dabo; Andrea Ferretti; Nicolas Poilvert; Yanli Li; Nicola Marzari; Matteo Cococcioni;
11 Aug 2010
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