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Marco Buongiorno Nardelli
Marco Buongiorno Nardelli
Regents Professor of Physics and Composition, UNT
E-mail confirmado em unt.edu - Página inicial
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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
65872017
The high-throughput highway to computational materials design
S Curtarolo, GLW Hart, MB Nardelli, N Mingo, S Sanvito, O Levy
Nature materials 12 (3), 191-201, 2013
19382013
AFLOWLIB. ORG: A distributed materials properties repository from high-throughput ab initio calculations
S Curtarolo, W Setyawan, S Wang, J Xue, K Yang, RH Taylor, LJ Nelson, ...
Computational Materials Science 58, 227-235, 2012
10812012
Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites
Y Tang, ZM Gibbs, LA Agapito, G Li, HS Kim, MB Nardelli, S Curtarolo, ...
Nature materials 14 (12), 1223-1228, 2015
6852015
Mn Interstitial Diffusion in
KW Edmonds, P Bogusławski, KY Wang, RP Campion, SN Novikov, ...
Physical Review Letters 92 (3), 037201, 2004
6452004
Brittle and ductile behavior in carbon nanotubes
MB Nardelli, BI Yakobson, J Bernholc
Physical review letters 81 (21), 4656, 1998
6441998
Mechanism of strain release in carbon nanotubes
MB Nardelli, BI Yakobson, J Bernholc
Physical review B 57 (8), R4277, 1998
6371998
Electronic transport in extended systems: Application to carbon nanotubes
MB Nardelli
Physical Review B 60 (11), 7828, 1999
6241999
Intrinsic electrical transport properties of monolayer silicene and MoS 2 from first principles
X Li, JT Mullen, Z Jin, KM Borysenko, MB Nardelli, KW Kim
Physical Review B 87 (11), 115418, 2013
5122013
Mechanical and electrical properties of nanotubes
J Bernholc, D Brenner, M Buongiorno Nardelli, V Meunier, C Roland
Annual Review of Materials Research 32 (1), 347-375, 2002
4992002
Ultimate strength of carbon nanotubes: a theoretical study
Q Zhao, MB Nardelli, J Bernholc
Physical Review B 65 (14), 144105, 2002
4122002
The 2019 materials by design roadmap
K Alberi, MB Nardelli, A Zakutayev, L Mitas, S Curtarolo, A Jain, M Fornari, ...
Journal of Physics D: Applied Physics 52 (1), 013001, 2018
3162018
A search model for topological insulators with high-throughput robustness descriptors
K Yang, W Setyawan, S Wang, M Buongiorno Nardelli, S Curtarolo
Nature materials 11 (7), 614-619, 2012
3162012
Ab initio transport properties of nanostructures from maximally localized Wannier functions
A Calzolari, N Marzari, I Souza, MB Nardelli
Physical Review B 69 (3), 035108, 2004
3132004
The AFLOW standard for high-throughput materials science calculations
CE Calderon, JJ Plata, C Toher, C Oses, O Levy, M Fornari, A Natan, ...
Computational Materials Science 108, 233-238, 2015
2882015
High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model
C Toher, JJ Plata, O Levy, M De Jong, M Asta, MB Nardelli, S Curtarolo
Physical Review B 90 (17), 174107, 2014
2782014
Reformulation of DFT+ U as a pseudohybrid hubbard density functional for accelerated materials discovery
LA Agapito, S Curtarolo, MB Nardelli
Physical Review X 5 (1), 011006, 2015
2712015
Spontaneous polarization and piezoelectricity in boron nitride nanotubes
SM Nakhmanson, A Calzolari, V Meunier, J Bernholc, MB Nardelli
Physical Review B 67 (23), 235406, 2003
2702003
First-principles analysis of electron-phonon interactions in graphene
KM Borysenko, JT Mullen, EA Barry, S Paul, YG Semenov, JM Zavada, ...
Physical Review B 81 (12), 121412, 2010
2672010
First-principles analysis of lattice thermal conductivity in monolayer and bilayer graphene
BD Kong, S Paul, MB Nardelli, KW Kim
Physical Review B 80 (3), 033406, 2009
2642009
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