Articles with public access mandates - Nicola MarzariLearn more
Not available anywhere: 14
Thermal conductivity of graphene and graphite: collective excitations and mean free paths
G Fugallo, A Cepellotti, L Paulatto, M Lazzeri, N Marzari, F Mauri
Nano letters 14 (11), 6109-6114, 2014
Mandates: Swiss National Science Foundation, European Commission
Oxygen Evolution Reaction on La1–xSrxCoO3 Perovskites: A Combined Experimental and Theoretical Study of Their Structural, Electronic, and Electrochemical …
X Cheng, E Fabbri, M Nachtegaal, IE Castelli, M El Kazzi, R Haumont, ...
Chemistry of Materials 27 (22), 7662-7672, 2015
Mandates: Swiss National Science Foundation
Grand canonical simulations of electrochemical interfaces in implicit solvation models
NG Hörmann, O Andreussi, N Marzari
The Journal of chemical physics 150 (4), 2019
Mandates: Swiss National Science Foundation
Unraveling thermodynamics, stability, and oxygen evolution activity of strontium ruthenium perovskite oxide
BJ Kim, DF Abbott, X Cheng, E Fabbri, M Nachtegaal, F Bozza, IE Castelli, ...
Acs Catalysis 7 (5), 3245-3256, 2017
Mandates: Swiss National Science Foundation
Soft-sphere continuum solvation in electronic-structure calculations
G Fisicaro, L Genovese, O Andreussi, S Mandal, NN Nair, N Marzari, ...
Journal of chemical theory and computation 13 (8), 3829-3845, 2017
Mandates: Swiss National Science Foundation, European Commission
Continuum models of the electrochemical diffuse layer in electronic-structure calculations
F Nattino, M Truscott, N Marzari, O Andreussi
The Journal of chemical physics 150 (4), 2019
Mandates: Swiss National Science Foundation, European Commission
Bridging density-functional and many-body perturbation theory: Orbital-density dependence in electronic-structure functionals
A Ferretti, I Dabo, M Cococcioni, N Marzari
Physical Review B 89 (19), 195134, 2014
Mandates: Government of Italy
Theoretical prediction of two-dimensional materials, behavior, and properties
ES Penev, N Marzari, BI Yakobson
ACS nano 15 (4), 5959-5976, 2021
Mandates: US National Science Foundation, US Department of Energy, Swiss National …
High Li-ion conductivity in tetragonal LGPO: A comparative first-principles study against known LISICON and LGPS phases
G Materzanini, L Kahle, A Marcolongo, N Marzari
Physical Review Materials 5 (3), 035408, 2021
Mandates: Swiss National Science Foundation
Energy level alignment at the cobalt phosphate/electrolyte interface: Intrinsic stability vs interfacial chemical reactions in 5 V lithium ion batteries
G Cherkashinin, R Eilhardt, S Nappini, M Cococcioni, I Pis, S Dal Zilio, ...
ACS Applied Materials & Interfaces 14 (1), 543-556, 2021
Mandates: German Research Foundation, European Commission, Government of Italy
Automated high-throughput Wannierisation
V Valerio, P Giovanni, M Antimo, JR Yates, N Marzari, AA Mostofi
NPJ Computational Materials 6 (1), 2020
Mandates: Swiss National Science Foundation, UK Engineering and Physical Sciences …
Materials Informatics: Overview
N Marzari
Handbook of Materials Modeling: Methods: Theory and Modeling, 1743-1749, 2020
Mandates: Swiss National Science Foundation
On the Kinetic Theory of Thermal Transport in Crystals
A Cepellotti, N Marzari
Handbook of Materials Modeling: Applications: Current and Emerging Materials …, 2020
Mandates: Swiss National Science Foundation
Novel 2-D Materials for Tunneling FETs: an Ab-initio Study
C Klinkert, A Szabo, D Campi, C Stieger, N Marzari, M Luisier
2018 76th Device Research Conference (DRC), 1-2, 2018
Mandates: Swiss National Science Foundation
Available somewhere: 164
Advanced capabilities for materials modelling with Quantum ESPRESSO
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
Mandates: US National Science Foundation, US Department of Energy, Swiss National …
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
N Mounet, M Gibertini, P Schwaller, D Campi, A Merkys, A Marrazzo, ...
Nature nanotechnology 13 (3), 246-252, 2018
Mandates: Swiss National Science Foundation, European Commission
Wannier90 as a community code: new features and applications
G Pizzi, V Vitale, R Arita, S Blügel, F Freimuth, G Géranton, M Gibertini, ...
Journal of Physics: Condensed Matter 32 (16), 165902, 2020
Mandates: Swiss National Science Foundation, European Commission
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
Mandates: US National Science Foundation, US Department of Energy, Swiss National …
Quantum ESPRESSO toward the exascale
P Giannozzi, O Baseggio, P Bonfà, D Brunato, R Car, I Carnimeo, ...
The Journal of chemical physics 152 (15), 2020
Mandates: Swiss National Science Foundation, US National Institutes of Health
Large-Area Epitaxial Monolayer MoS2
D Dumcenco, D Ovchinnikov, K Marinov, P Lazic, M Gibertini, N Marzari, ...
ACS nano 9 (4), 4611-4620, 2015
Mandates: Swiss National Science Foundation, European Commission
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