| 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 | 7388 | 2017 |
| 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 | 2042 | 2013 |
| 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 | 1147 | 2012 |
| 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 | 727 | 2015 |
| Brittle and ductile behavior in carbon nanotubes MB Nardelli, BI Yakobson, J Bernholc Physical review letters 81 (21), 4656, 1998 | 661 | 1998 |
| Mn Interstitial Diffusion in KW Edmonds, P Bogusławski, KY Wang, RP Campion, SN Novikov, ... Physical Review Letters 92 (3), 037201, 2004 | 654 | 2004 |
| Electronic transport in extended systems: Application to carbon nanotubes MB Nardelli Physical Review B 60 (11), 7828, 1999 | 636 | 1999 |
| Mechanism of strain release in carbon nanotubes MB Nardelli, BI Yakobson, J Bernholc Physical review B 57 (8), R4277, 1998 | 633 | 1998 |
| Intrinsic electrical transport properties of monolayer silicene and MoS from first principles X Li, JT Mullen, Z Jin, KM Borysenko, M Buongiorno Nardelli, KW Kim Physical Review B—Condensed Matter and Materials Physics 87 (11), 115418, 2013 | 545 | 2013 |
| 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 | 507 | 2002 |
| Ultimate strength of carbon nanotubes: a theoretical study Q Zhao, MB Nardelli, J Bernholc Physical Review B 65 (14), 144105, 2002 | 415 | 2002 |
| 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 | 337 | 2018 |
| 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 | 322 | 2004 |
| 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 | 319 | 2012 |
| 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 | 312 | 2015 |
| 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 | 290 | 2014 |
| Reformulation of as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery LA Agapito, S Curtarolo, M Buongiorno Nardelli Physical Review X 5 (1), 011006, 2015 | 288 | 2015 |
| 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 | 283 | 2003 |
| First-principles analysis of lattice thermal conductivity in monolayer and bilayer graphene BD Kong, S Paul, MB Nardelli, KW Kim Physical Review B—Condensed Matter and Materials Physics 80 (3), 033406, 2009 | 275 | 2009 |
| First-principles analysis of electron-phonon interactions in graphene KM Borysenko, JT Mullen, EA Barry, S Paul, YG Semenov, JM Zavada, ... Physical Review B—Condensed Matter and Materials Physics 81 (12), 121412, 2010 | 271 | 2010 |
Jerzy (Jerry) BernholcDrexel Professor of Physics, North Carolina State University在 ncsu.edu 的电子邮件经过验证
