@article{dong_ranjan_buongiorno nardelli_bernholc_2016, title={First-principles simulations of PVDF copolymers with high dielectric energy density: PVDF-HFP and PVDF-BTFE}, volume={94}, ISSN={2469-9950 2469-9969}, url={http://dx.doi.org/10.1103/PhysRevB.94.014210}, DOI={10.1103/physrevb.94.014210}, number={1}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Dong, Rui and Ranjan, V. and Buongiorno Nardelli, Marco and Bernholc, J.}, year={2016}, month={Jul} }
 @article{dong_ranjan_buongiorno nardelli_bernholc_2015, title={Atomistic simulations of aromatic polyurea and polyamide for capacitive energy storage}, volume={92}, ISSN={1098-0121 1550-235X}, url={http://dx.doi.org/10.1103/PhysRevB.92.024203}, DOI={10.1103/physrevb.92.024203}, number={2}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Dong, Rui and Ranjan, V. and Buongiorno Nardelli, Marco and Bernholc, J.}, year={2015}, month={Jul} }
 @article{miao_liu_wang_wu_huang_gubbins_nardelli_2012, title={Activation of water on the TiO2 (110) surface: The case of Ti adatoms}, volume={136}, ISSN={["0021-9606"]}, DOI={10.1063/1.3682781}, number={6}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Miao, Meng and Liu, Yingchun and Wang, Qi and Wu, Tao and Huang, Liping and Gubbins, Keith E. and Nardelli, Marco Buongiorno}, year={2012}, month={Feb} }
 @article{ranjan_nardelli_bernholc_2012, title={Electric Field Induced Phase Transitions in Polymers: A Novel Mechanism for High Speed Energy Storage}, volume={108}, ISSN={0031-9007 1079-7114}, url={http://dx.doi.org/10.1103/PhysRevLett.108.087802}, DOI={10.1103/physrevlett.108.087802}, number={8}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Ranjan, V. and Nardelli, Marco Buongiorno and Bernholc, J.}, year={2012}, month={Feb} }
 @article{sandin_jayasekera_rowe_kim_buongiorno nardelli_dougherty_2012, title={Multiple coexisting intercalation structures of sodium in epitaxial graphene-SiC interfaces}, volume={85}, ISSN={1098-0121 1550-235X}, url={http://dx.doi.org/10.1103/PhysRevB.85.125410}, DOI={10.1103/physrevb.85.125410}, number={12}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Sandin, Andreas and Jayasekera, Thushari and Rowe, J. E. and Kim, Ki Wook and Buongiorno Nardelli, M. and Dougherty, Daniel B.}, year={2012}, month={Mar} }
 @article{borysenko_mullen_li_semenov_zavada_nardelli_kim_2011, title={Electron-phonon interactions in bilayer graphene}, volume={83}, ISSN={1098-0121 1550-235X}, url={http://dx.doi.org/10.1103/PhysRevB.83.161402}, DOI={10.1103/physrevb.83.161402}, number={16}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Borysenko, K. M. and Mullen, J. T. and Li, X. and Semenov, Y. G. and Zavada, J. M. and Nardelli, M. Buongiorno and Kim, K. W.}, year={2011}, month={Apr} }
 @article{jayasekera_xu_kim_nardelli_2011, title={Electronic properties of the graphene/6H-SiC(0001¯) interface: A first-principles study}, volume={84}, ISSN={1098-0121 1550-235X}, url={http://dx.doi.org/10.1103/PhysRevB.84.035442}, DOI={10.1103/physrevb.84.035442}, number={3}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Jayasekera, Thushari and Xu, Shu and Kim, K. W. and Nardelli, M. Buongiorno}, year={2011}, month={Jul} }
 @article{jayasekera_kong_kim_buongiorno nardelli_2010, title={Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001)}, volume={104}, ISSN={0031-9007 1079-7114}, url={http://dx.doi.org/10.1103/PhysRevLett.104.146801}, DOI={10.1103/physrevlett.104.146801}, number={14}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Jayasekera, Thushari and Kong, B. D. and Kim, K. W. and Buongiorno Nardelli, M.}, year={2010}, month={Apr} }
 @article{santagata_lakhani_davis_luo_nardelli_pearl_2010, title={Chiral Steering of Molecular Organization in the Limit of Weak Adsorbate-Substrate Interactions: Enantiopure and Racemic Tartaric Acid Domains on Ag(111)}, volume={114}, ISSN={["1932-7447"]}, DOI={10.1021/jp912124v}, number={19}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Santagata, Nancy M. and Lakhani, Amit M. and Davis, Bryce F. and Luo, Pengshun and Nardelli, Marco Buongiorno and Pearl, Thomas P.}, year={2010}, month={May}, pages={8917–8925} }
 @article{borysenko_mullen_barry_paul_semenov_zavada_nardelli_kim_2010, title={First-principles analysis of electron-phonon interactions in graphene}, volume={81}, ISSN={1098-0121 1550-235X}, url={http://dx.doi.org/10.1103/PhysRevB.81.121412}, DOI={10.1103/physrevb.81.121412}, number={12}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Borysenko, K. M. and Mullen, J. T. and Barry, E. A. and Paul, S. and Semenov, Y. G. and Zavada, J. M. and Nardelli, M. Buongiorno and Kim, K. W.}, year={2010}, month={Mar} }
 @article{li_barry_zavada_nardelli_kim_2010, title={Influence of electron-electron scattering on transport characteristics in monolayer graphene}, volume={97}, number={8}, journal={Applied Physics Letters}, author={Li, X. and Barry, E. A. and Zavada, J. M. and Nardelli, M. B. and Kim, K. W.}, year={2010} }
 @article{ranjan_yu_nakhmanson_bernholc_nardelli_2010, title={Polarization effects and phase equilibria in high-energy-density polyvinylidene-fluoride-based polymers}, volume={66}, ISSN={["2053-2733"]}, DOI={10.1107/s0108767310026358}, journal={ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES}, author={Ranjan, V. and Yu, L. and Nakhmanson, Serge and Bernholc, Jerry and Nardelli, M. Buongiorno}, year={2010}, month={Sep}, pages={553–557} }
 @article{paul_nardelli_2010, title={Rational computational design of optimal catalytic surfaces}, volume={97}, ISSN={["0003-6951"]}, DOI={10.1063/1.3525372}, number={23}, journal={APPLIED PHYSICS LETTERS}, author={Paul, Sujata and Nardelli, Marco Buongiorno}, year={2010}, month={Dec} }
 @article{calzolari_jin_reutt-robey_nardelli_2010, title={Substrate-Mediated Intermolecular Hybridization in Binary Phthalocyanine Superstructures}, volume={114}, ISSN={["1932-7455"]}, DOI={10.1021/jp908166j}, number={2}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Calzolari, Arrigo and Jin, Wei and Reutt-Robey, Janice E. and Nardelli, Marco Buongiorno}, year={2010}, month={Jan}, pages={1041–1045} }
 @article{li_barry_zavada_buongiorno nardelli_kim_2010, title={Surface polar phonon dominated electron transport in graphene}, volume={97}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.3525606}, DOI={10.1063/1.3525606}, number={23}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Li, X. and Barry, E. A. and Zavada, J. M. and Buongiorno Nardelli, M. and Kim, K. W.}, year={2010}, month={Dec}, pages={232105} }
 @article{chen_jayasekera_calzolari_kim_buongiorno nardelli_2010, title={Thermoelectric properties of graphene nanoribbons, junctions and superlattices}, volume={22}, ISSN={0953-8984 1361-648X}, url={http://dx.doi.org/10.1088/0953-8984/22/37/372202}, DOI={10.1088/0953-8984/22/37/372202}, number={37}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Chen, Y and Jayasekera, T and Calzolari, A and Kim, K W and Buongiorno Nardelli, M}, year={2010}, month={Aug}, pages={372202} }
 @article{huang_liu_gubbins_nardelli_2010, title={Ti-decorated C-60 as catalyst for hydrogen generation and storage}, volume={96}, ISSN={["1077-3118"]}, DOI={10.1063/1.3302469}, number={6}, journal={APPLIED PHYSICS LETTERS}, author={Huang, Liping and Liu, Ying-Chun and Gubbins, Keith E. and Nardelli, Marco Buongiorno}, year={2010}, month={Feb} }
 @inbook{santiso_huang_gubbins_kostov_george_nardelli_2009, title={Ab initio simulations of chemical reactions in nanostructured carbon materials}, ISBN={1588831388}, booktitle={Quantum chemical calculations of surfaces and interfaces of materials}, publisher={Stevenson Ranch, Calif.: American Scientific Publishers,}, author={Santiso, E. E. and Huang, L. and Gubbins, K. E. and Kostov, M. K. and George, A. M. and Nardelli, M. B.}, editor={V. A. Basiuk and Ugliengo, P.Editors}, year={2009} }
 @article{kong_paul_nardelli_kim_2009, title={First-principles analysis of lattice thermal conductivity in monolayer and bilayer graphene}, volume={80}, ISSN={1098-0121 1550-235X}, url={http://dx.doi.org/10.1103/PhysRevB.80.033406}, DOI={10.1103/physrevb.80.033406}, number={3}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Kong, B. D. and Paul, S. and Nardelli, M. Buongiorno and Kim, K. W.}, year={2009}, month={Jul} }
 @article{saha_lu_bernholc_meunier_2009, title={First-principles methodology for quantum transport in multiterminal junctions}, volume={131}, ISSN={0021-9606 1089-7690}, url={http://dx.doi.org/10.1063/1.3247880}, DOI={10.1063/1.3247880}, number={16}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Saha, Kamal K. and Lu, Wenchang and Bernholc, J. and Meunier, Vincent}, year={2009}, month={Oct}, pages={164105} }
 @article{huang_rocca_baroni_gubbins_nardelli_2009, title={Molecular design of photoactive acenes for organic photovoltaics}, volume={130}, ISSN={["1089-7690"]}, DOI={10.1063/1.3133361}, number={19}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Huang, Liping and Rocca, Dario and Baroni, Stefano and Gubbins, Keith E. and Nardelli, Marco Buongiorno}, year={2009}, month={May} }
 @article{paul_santiso_nardelli_2009, title={Sequestration and selective oxidation of carbon monoxide on graphene edges}, volume={21}, ISSN={["1361-648X"]}, DOI={10.1088/0953-8984/21/35/355008}, number={35}, journal={JOURNAL OF PHYSICS-CONDENSED MATTER}, author={Paul, Sujata and Santiso, Erik E. and Nardelli, Marco Buongiorno}, year={2009}, month={Sep} }
 @article{pantano_nardelli_2009, title={Simulation of the Electromechanical Behavior of Multiwall Carbon Nanotubes}, volume={3}, ISSN={["1936-0851"]}, DOI={10.1021/nn900795n}, number={10}, journal={ACS NANO}, author={Pantano, A. and Nardelli, M. Buongiorno}, year={2009}, month={Oct}, pages={3266–3272} }
 @article{santiso_nardelli_gubbins_2008, title={A remarkable shape-catalytic effect of confinement on the rotational isomerization of small hydrocarbons}, volume={128}, ISSN={["1089-7690"]}, DOI={10.1063/1.2819238}, number={3}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Santiso, Erik E. and Nardelli, Marco Buongiorno and Gubbins, Keith E.}, year={2008}, month={Jan} }
 @article{huang_santiso_nardelli_gubbins_2008, title={Catalytic role of carbons in methane decomposition for CO- and CO(2)-free hydrogen generation}, volume={128}, ISSN={["0021-9606"]}, DOI={10.1063/1.2931456}, number={21}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Huang, Liping and Santiso, Erik E. and Nardelli, Marco Buongiorno and Gubbins, Keith E.}, year={2008}, month={Jun} }
 @article{kim_wang_lu_nardelli_bernholc_2008, title={Effects of end group functionalization and level alignment on electron transport in molecular devices}, volume={128}, number={2}, journal={Journal of Chemical Physics}, author={Kim, G. and Wang, S. C. and Lu, W. C. and Nardelli, M. B. and Bernholc, J.}, year={2008} }
 @article{yu_ranjan_lu_bernholc_nardelli_2008, title={Equivalence of dipole correction and Coulomb cutoff techniques in supercell calculations}, volume={77}, ISSN={["1098-0121"]}, DOI={10.1103/physrevb.77.245102}, number={24}, journal={PHYSICAL REVIEW B}, author={Yu, Liping and Ranjan, V. and Lu, W. and Bernholc, J. and Nardelli, M. Buongiorno}, year={2008}, month={Jun} }
 @article{nunez_nardelli_2008, title={Interface phase and tuning of polarization in metal-ferroelectric junctions: A theoretical study}, volume={92}, number={25}, journal={Applied Physics Letters}, author={Nunez, M. and Nardelli, M. B.}, year={2008} }
 @article{santiso_nardelli_gubbins_2008, title={Isomerization kinetics of small hydrocarbons in confinement}, volume={14}, ISSN={["1572-8757"]}, DOI={10.1007/s10450-007-9075-8}, number={2-3}, journal={ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY}, author={Santiso, Erik E. and Nardelli, Marco Buongiorno and Gubbins, Keith E.}, year={2008}, month={Jun}, pages={181–188} }
 @article{nunez_nardelli_2008, title={Onset of ferrielectricity and the hidden nature of nanoscale polarization in ferroelectric thin films}, volume={101}, number={10}, journal={Physical Review Letters}, author={Nunez, M. and Nardelli, M. B.}, year={2008} }
 @article{calzolari_ferretti_nardelli_2007, title={Ab initio correlation effects on the electronic and transport properties of metal(II)-phthalocyanine-based devices}, volume={18}, number={42}, journal={Nanotechnology}, author={Calzolari, A. and Ferretti, A. and Nardelli, M. B.}, year={2007} }
 @article{bernholc_lu_nakhmanson_hahn_meunier_nardelli_schmidt_2007, title={Atomic scale design of nanostructures}, volume={105}, ISSN={["1362-3028"]}, DOI={10.1080/00268970701189186}, number={2-3}, journal={MOLECULAR PHYSICS}, author={Bernholc, J. and Lu, W. and Nakhmanson, S. M. and Hahn, P. H. and Meunier, V. and Nardelli, M. Buongiorno and Schmidt, W. G.}, year={2007}, pages={147–156} }
 @article{santiso_kostov_george_nardelli_gubbins_2007, title={Confinement effects on chemical reactions - Toward an integrated rational catalyst design}, volume={253}, ISSN={["1873-5584"]}, DOI={10.1016/j.apsusc.2006.12.121}, number={13}, journal={APPLIED SURFACE SCIENCE}, author={Santiso, Erik E. and Kostov, Milen K. and George, Aaron M. and Nardelli, Marco Buongiorno and Gubbins, Keith E.}, year={2007}, month={Apr}, pages={5570–5579} }
 @article{stekolnikov_seino_bechstedt_wippermann_schmidt_calzolari_nardelli_2007, title={Hexagon versus trimer formation in in nanowires on Si(111): Energetics and quantum conductance}, volume={98}, number={2}, journal={Physical Review Letters}, author={Stekolnikov, A. A. and Seino, K. and Bechstedt, F. and Wippermann, S. and Schmidt, W. G. and Calzolari, A. and Nardelli, M. B.}, year={2007}, pages={026105} }
 @article{ranjan_yu_nardelli_bernholc_2007, title={Phase Equilibria in High Energy Density PVDF-Based Polymers}, volume={99}, ISSN={0031-9007 1079-7114}, url={http://dx.doi.org/10.1103/PhysRevLett.99.047801}, DOI={10.1103/physrevlett.99.047801}, number={4}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Ranjan, V. and Yu, L. and Nardelli, Marco Buongiorno and Bernholc, J.}, year={2007}, month={Jul} }
 @article{santiso_george_gubbins_nardelli_2006, title={Effect of confinement by porous carbons on the unimolecular decomposition of formaldehyde}, volume={125}, ISSN={["1089-7690"]}, DOI={10.1063/1.2220566}, number={8}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={Santiso, Erik E. and George, Aaron M. and Gubbins, Keith E. and Nardelli, Marco Buongiorno}, year={2006}, month={Aug} }
 @article{nunez_nardelli_2006, title={Tuning the Schottky barrier height in metal-alkaline earth oxide interfaces}, volume={243}, ISSN={["0370-1972"]}, DOI={10.1002/pssb.200666810}, number={9}, journal={PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS}, author={Nunez, Matias and Nardelli, M. Buongiorno}, year={2006}, month={Jul}, pages={2081–2084} }
 @article{lee_nardelli_marzari_2005, title={Band structure and quantum conductance of nanostructures from maximally localized wannier functions: The case of functionalized carbon nanotubes}, volume={95}, number={7}, journal={Physical Review Letters}, author={Lee, Y. S. and Nardelli, M. B. and Marzari, N.}, year={2005} }
 @article{zhao_buongiorno nardelli_lu_bernholc_2005, title={Carbon Nanotube−Metal Cluster Composites:  A New Road to Chemical Sensors?}, volume={5}, ISSN={1530-6984 1530-6992}, url={http://dx.doi.org/10.1021/nl050167w}, DOI={10.1021/nl050167w}, number={5}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Zhao, Q. and Buongiorno Nardelli, M. and Lu, W. and Bernholc, J.}, year={2005}, month={May}, pages={847–851} }
 @article{nakhmanson_nardelli_bernholc_2005, title={Collective polarization effects in beta-polyvinylidene fluoride and its copolymers with tri- and tetrafluoroethylene}, volume={72}, DOI={10.1103/physrevb.72.115210}, number={11}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Nakhmanson, S. M. and Nardelli, M. B. and Bernholc, Jerzy}, year={2005} }
 @article{edmonds_boguslawski_wang_campion_novikov_farley_gallagher_foxon_sawicki_dietl_et al._2005, title={Comment on "Mn interstitial diffusion in (Ga,Mn)As'' - Reply}, volume={94}, number={13}, journal={Physical Review Letters}, author={Edmonds, K. W. and Boguslawski, P. and Wang, K. Y. and Campion, R. P. and Novikov, S. V. and Farley, N. R. S. and Gallagher, B. L. and Foxon, C. T. and Sawicki, M. and Dietl, T. and et al.}, year={2005} }
 @article{kostov_santiso_george_gubbins_nardelli_2005, title={Dissociation of water on defective carbon substrates}, volume={95}, ISSN={["1079-7114"]}, DOI={10.1103/physrevlett.95.136105}, number={13}, journal={PHYSICAL REVIEW LETTERS}, author={Kostov, MK and Santiso, EE and George, AM and Gubbins, KE and Nardelli, MB}, year={2005}, month={Sep} }
 @article{calzolari_buongiorno nardelli_2005, title={First principles theory of artificial metal chains on NiAl(110) surface}, volume={72}, number={4}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Calzolari, A. and Buongiorno Nardelli, M.}, year={2005} }
 @article{ferretti_calzolari_di felice_manghi_caldas_nardelli_molinari_2005, title={First-principles theory of correlated transport through nanojunctions}, volume={94}, number={11}, journal={Physical Review Letters}, author={Ferretti, A. and Calzolari, A. and Di Felice, R. and Manghi, F. and Caldas, M. J. and Nardelli, M. B. and Molinari, E.}, year={2005} }
 @article{calzolari_marzari_souza_nardelli_2004, title={Ab initio transport properties of nanostructures from maximally localized Wannier functions}, volume={69}, number={3}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Calzolari, A. and Marzari, N. and Souza, I. and Nardelli, M. B.}, year={2004} }
 @article{nardelli_walker_mckee_2004, title={Crystalline oxides on semiconductors: a future for the nanotransistor}, volume={241}, number={10}, journal={Physica Status Solidi. B, Basic Solid State Physics}, author={Nardelli, M. B. and Walker, F. J. and McKee, R. A.}, year={2004}, pages={2279–2286} }
 @article{calzolari_cavazzoni_nardelli_2004, title={Electronic and transport properties of artificial gold chains}, volume={93}, number={9}, journal={Physical Review Letters}, author={Calzolari, A. and Cavazzoni, C. and Nardelli, M. B.}, year={2004}, pages={096404} }
 @article{pantano_parks_boyce_nardelli_2004, title={Mixed finite element-tight-binding electromechanical analysis of carbon nanotubes}, volume={96}, ISSN={["1089-7550"]}, DOI={10.1063/1.1809252}, number={11}, journal={JOURNAL OF APPLIED PHYSICS}, author={Pantano, A and Parks, DM and Boyce, MC and Nardelli, MB}, year={2004}, month={Dec}, pages={6756–6760} }
 @article{edmonds_bogusławski_wang_campion_novikov_farley_gallagher_foxon_sawicki_dietl_et al._2004, title={Mn Interstitial Diffusion in(Ga,Mn)As}, volume={92}, ISSN={0031-9007 1079-7114}, url={http://dx.doi.org/10.1103/PhysRevLett.92.037201}, DOI={10.1103/physrevlett.92.037201}, number={3}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Edmonds, K. W. and Bogusławski, P. and Wang, K. Y. and Campion, R. P. and Novikov, S. N. and Farley, N. R. S. and Gallagher, B. L. and Foxon, C. T. and Sawicki, M. and Dietl, T. and et al.}, year={2004}, month={Jan} }
 @article{bernholc_nakhmanson_nardelli_meunier_2004, title={Understanding and enhancing polarization in complex materials}, volume={6}, ISSN={["1521-9615"]}, DOI={10.1109/mcse.2004.78}, number={6}, journal={COMPUTING IN SCIENCE & ENGINEERING}, author={Bernholc, J and Nakhmanson, SM and Nardelli, MB and Meunier, V}, year={2004}, pages={12–21} }
 @article{hernandez_meunier_smith_rurali_terrones_nardelli_terrones_luzzi_charlier_2003, title={Fullerene coalescence in nanopeapods: A path to novel tubular carbon}, volume={3}, ISSN={["1530-6992"]}, DOI={10.1021/nl034283f}, number={8}, journal={NANO LETTERS}, author={Hernandez, E and Meunier, V and Smith, BW and Rurali, R and Terrones, H and Nardelli, MB and Terrones, M and Luzzi, DE and Charlier, JC}, year={2003}, month={Aug}, pages={1037–1042} }
 @article{meunier_nardelli_bernholc_zacharia_charlier_2003, title={Response to “Comment on ‘Intrinsic electron transport properties of carbon nanotube Y junctions’ ” [Appl. Phys. Lett. 83, 1674 (2003)]}, volume={83}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.1604949}, DOI={10.1063/1.1604949}, number={8}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Meunier, Vincent and Nardelli, Marco Buongiorno and Bernholc, J. and Zacharia, Thomas and Charlier, Jean-Christophe}, year={2003}, month={Aug}, pages={1676–1677} }
 @article{nakhmanson_calzolari_meunier_bernholc_nardelli_2003, title={Spontaneous polarization and piezoelectricity in boron nitride nanotubes}, volume={67}, ISSN={["1098-0121"]}, DOI={10.1103/physrevb.67.235406}, number={23}, journal={PHYSICAL REVIEW B}, author={Nakhmanson, SM and Calzolari, A and Meunier, V and Bernholc, J and Nardelli, MB}, year={2003}, month={Jun} }
 @article{mckee_walker_nardelli_shelton_stocks_2003, title={The interface phase and the Schottky barrier for a crystalline dielectric on silicon}, volume={300}, ISSN={["0036-8075"]}, DOI={10.1126/science.1083894}, number={5626}, journal={SCIENCE}, author={McKee, RA and Walker, FJ and Nardelli, MB and Shelton, WA and Stocks, GM}, year={2003}, month={Jun}, pages={1726–1730} }
 @article{meunier_roland_bernholc_nardelli_2002, title={Electronic and field emission properties of boron nitride/carbon nanotube superlattices}, volume={81}, ISSN={["1077-3118"]}, DOI={10.1063/1.1491013}, number={1}, journal={APPLIED PHYSICS LETTERS}, author={Meunier, V and Roland, C and Bernholc, J and Nardelli, MB}, year={2002}, month={Jul}, pages={46–48} }
 @article{meunier_nardelli_bernholc_zacharia_charlier_2002, title={Intrinsic electron transport properties of carbon nanotube Y-junctions}, volume={81}, ISSN={["0003-6951"]}, DOI={10.1063/1.1533842}, number={27}, journal={APPLIED PHYSICS LETTERS}, author={Meunier, V and Nardelli, MB and Bernholc, J and Zacharia, T and Charlier, JC}, year={2002}, month={Dec}, pages={5234–5236} }
 @misc{bernholc_brenner_nardelli_meunier_roland_2002, title={Mechanical and electrical properties of nanotubes}, volume={32}, ISSN={["1531-7331"]}, DOI={10.1146/annurev.matsci.32.112601.134925}, number={2002}, journal={ANNUAL REVIEW OF MATERIALS RESEARCH}, author={Bernholc, J and Brenner, D and Nardelli, MB and Meunier, V and Roland, C}, year={2002}, pages={347-+} }
 @article{zhao_nardelli_bernholc_2002, title={Ultimate strength of carbon nanotubes: A theoretical study}, volume={65}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.65.144105}, number={14}, journal={PHYSICAL REVIEW B}, author={Zhao, QZ and Nardelli, MB and Bernholc, J}, year={2002}, month={Apr} }
 @article{nardelli_fattebert_bernholc_2001, title={O(N) real-space method for ab initio quantum transport calculations: Application to carbon nanotube-metal contacts}, volume={64}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.64.245423}, number={24}, journal={PHYSICAL REVIEW B}, author={Nardelli, MB and Fattebert, JL and Bernholc, J}, year={2001}, month={Dec} }
 @article{meunier_nardelli_roland_bernholc_2001, title={Structural and electronic properties of carbon nanotube tapers}, volume={64}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.64.195419}, number={19}, journal={PHYSICAL REVIEW B}, author={Meunier, V and Nardelli, MB and Roland, C and Bernholc, J}, year={2001}, month={Nov} }
 @article{roland_nardelli_wang_guo_2000, title={Dynamic conductance of carbon nanotubes}, volume={84}, ISSN={["0031-9007"]}, DOI={10.1103/PhysRevLett.84.2921}, number={13}, journal={PHYSICAL REVIEW LETTERS}, author={Roland, C and Nardelli, MB and Wang, J and Guo, H}, year={2000}, month={Mar}, pages={2921–2924} }
 @article{bernholc_briggs_bungaro_nardelli_fattebert_rapcewicz_roland_schmidt_zhao_2000, title={Large-scale applications of real-space multigrid methods to surfaces, nanotubes, and quantum transport}, volume={217}, ISSN={["1521-3951"]}, DOI={10.1002/(sici)1521-3951(200001)217:1<685::aid-pssb685>3.0.co;2-3}, number={1}, journal={PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS}, author={Bernholc, J and Briggs, EL and Bungaro, C and Nardelli, MB and Fattebert, JL and Rapcewicz, K and Roland, C and Schmidt, WG and Zhao, Q}, year={2000}, month={Jan}, pages={685–701} }
 @article{nardelli_fattebert_orlikowski_roland_zhao_bernholc_2000, title={Mechanical properties, defects and electronic behavior of carbon nanotubes}, volume={38}, ISSN={["1873-3891"]}, DOI={10.1016/S0008-6223(99)00291-2}, number={11-12}, journal={CARBON}, author={Nardelli, MB and Fattebert, JL and Orlikowski, D and Roland, C and Zhao, Q and Bernholc, J}, year={2000}, pages={1703–1711} }
 @article{orlikowski_nardelli_bernholc_roland_2000, title={Theoretical STM signatures and transport properties of native defects in carbon nanotubes}, volume={61}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.61.14194}, number={20}, journal={PHYSICAL REVIEW B}, author={Orlikowski, D and Nardelli, MB and Bernholc, J and Roland, C}, year={2000}, month={May}, pages={14194–14203} }
 @article{roland_bernholc_brabec_nardelli_maiti_2000, title={Theoretical investigations of carbon nanotube growth}, volume={25}, ISSN={["0892-7022"]}, DOI={10.1080/08927020008044108}, number={1-2}, journal={MOLECULAR SIMULATION}, author={Roland, C and Bernholc, J and Brabec, C and Nardelli, MB and Maiti, A}, year={2000}, pages={1–12} }
 @article{roland_nardelli_guo_mehrez_taylor_wang_wei_2000, title={Theoretical investigations of quantum transport through carbon nanotube devices}, volume={7}, DOI={10.1016/S0218-625X(00)00077-4}, number={5-6}, journal={Surface Review and Letters}, author={Roland, C. and Nardelli, M. B. and Guo, H. and Mehrez, H. and Taylor, J. and Wang, J. and Wei, Y.}, year={2000}, pages={637–642} }
 @article{paulson_helser_nardelli_taylor_falvo_superfine_washburn_2000, title={Tunable resistance of a carbon nanotube-graphite interface}, volume={290}, ISSN={["0036-8075"]}, DOI={10.1126/science.290.5497.1742}, number={5497}, journal={SCIENCE}, author={Paulson, S and Helser, A and Nardelli, MB and Taylor, RM and Falvo, M and Superfine, R and Washburn, S}, year={2000}, month={Dec}, pages={1742–1744} }
 @article{orlikowski_nardelli_bernholc_roland_1999, title={Ad-dimers on strained carbon nanotubes: A new route for quantum dot formation?}, volume={83}, ISSN={["0031-9007"]}, DOI={10.1103/PhysRevLett.83.4132}, number={20}, journal={PHYSICAL REVIEW LETTERS}, author={Orlikowski, D and Nardelli, MB and Bernholc, J and Roland, C}, year={1999}, month={Nov}, pages={4132–4135} }
 @article{nardelli_1999, title={Electronic transport in extended systems: Application to carbon nanotubes}, volume={60}, number={11}, journal={Physical Review. B, Condensed Matter and Materials Physics}, author={Nardelli, M. B.}, year={1999}, pages={7828–7833} }
 @article{nardelli_bernholc_1999, title={Mechanical deformations and coherent transport in carbon nanotubes}, volume={60}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.60.r16338}, number={24}, journal={PHYSICAL REVIEW B}, author={Nardelli, MB and Bernholc, J}, year={1999}, month={Dec}, pages={R16338–R16341} }
 @article{nardelli_yakobson_bernholc_1998, title={Brittle and ductile behavior in carbon nanotubes}, volume={81}, ISSN={["1079-7114"]}, DOI={10.1103/PhysRevLett.81.4656}, number={21}, journal={PHYSICAL REVIEW LETTERS}, author={Nardelli, MB and Yakobson, BI and Bernholc, J}, year={1998}, month={Nov}, pages={4656–4659} }
 @article{nardelli_brabec_maiti_roland_bernholc_1998, title={Lip-lip interactions and the growth of multiwalled carbon nanotubes}, volume={80}, DOI={10.1103/physrevlett.80.313}, number={2}, journal={Physical Review Letters}, author={Nardelli, M. B. and Brabec, C. and Maiti, A. and Roland, C. and Bernholc, Jerzy}, year={1998}, pages={313–316} }
 @article{nardelli_yakobson_bernholc_1998, title={Mechanism of strain release in carbon nanotubes}, volume={57}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.57.r4277}, number={8}, journal={PHYSICAL REVIEW B}, author={Nardelli, MB and Yakobson, BI and Bernholc, J}, year={1998}, month={Feb}, pages={R4277–R4280} }
 @article{nardelli_roland_bernholc_1998, title={Theoretical bounds for multiwalled carbon nanotube growth}, volume={296}, ISSN={["0009-2614"]}, DOI={10.1016/S0009-2614(98)01068-9}, number={5-6}, journal={CHEMICAL PHYSICS LETTERS}, author={Nardelli, MB and Roland, C and Bernholc, J}, year={1998}, month={Nov}, pages={471–476} }
 @article{bernholc_brabec_nardelli_maiti_roland_yakobson_1998, title={Theory of growth and mechanical properties of nanotubes}, volume={67}, ISSN={["1432-0630"]}, DOI={10.1007/s003390050735}, number={1}, journal={APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING}, author={Bernholc, J and Brabec, C and Nardelli, MB and Maiti, A and Roland, C and Yakobson, BI}, year={1998}, month={Jul}, pages={39–46} }
 @article{nardelli_rapcewicz_bernholc_1997, title={Polarization field effects on the electron-hole recombination dynamics in In0.2Ga0.8N/In1-xGaxN multiple quantum wells}, volume={71}, DOI={10.1063/1.120269}, number={21}, journal={Applied Physics Letters}, author={Nardelli, M. B. and Rapcewicz, K. and Bernholc, Jerzy}, year={1997}, pages={3135–3137} }
 @article{bernholc_briggs_sullivan_brabec_nardelli_rapcewicz_roland_wensell_1997, title={Real space multigrid methods for large scale electronic structure problems}, volume={65}, DOI={10.1002/(SICI)1097-461X(1997)65:5<531::AID-QUA18>3.0.CO;2-5}, number={5}, journal={International Journal of Quantum Chemistry}, author={Bernholc, Jerzy and Briggs, E. L. and Sullivan, D. J. and Brabec, C. J. and Nardelli, M. B. and Rapcewicz, K. and Roland, C. and Wensell, M.}, year={1997}, pages={531–543} }
 @article{nardelli_rapcewicz_bernholc_1997, title={Strain effects on the interface properties of nitride semiconductors}, volume={55}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.55.r7323}, number={12}, journal={PHYSICAL REVIEW B}, author={Nardelli, MB and Rapcewicz, K and Bernholc, J}, year={1997}, month={Mar}, pages={R7323–R7326} }
 @article{nardelli_rapcewicz_bernholc_1997, title={Theory of interfaces and surfaces in wide-gap nitrides}, volume={15}, DOI={10.1116/1.589429}, number={4}, journal={JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B}, author={Nardelli, MB and Rapcewicz, K and Bernholc, J}, year={1997}, pages={1144–1147} }