Luis A. Agapito, Ph.D. - Publications

2006 Texas A & M University, College Station, TX, United States 
Electronics and Electrical Engineering

15 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Agapito LA, Fornari M, Ceresoli D, Ferretti A, Curtarolo S, Nardelli MB. Accurate tight-binding Hamiltonians for two-dimensional and layered materials Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.125137  0.56
2016 Agapito LA, Ismail-Beigi S, Curtarolo S, Fornari M, Nardelli MB. Accurate tight-binding Hamiltonian matrices from ab initio calculations: Minimal basis sets Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.035104  0.56
2015 Tang Y, Gibbs ZM, Agapito LA, Li G, Kim HS, Nardelli MB, Curtarolo S, Snyder GJ. Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites. Nature Materials. 14: 1223-8. PMID 26436339 DOI: 10.1038/Nmat4430  0.56
2015 Gopal P, Fornari M, Curtarolo S, Agapito LA, Liyanage LSI, Nardelli MB. Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: A validation of the ACBN0 functional Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.245202  0.56
2013 Agapito LA, Ferretti A, Calzolari A, Curtarolo S, Buongiorno Nardelli M. Effective and accurate representation of extended Bloch states on finite Hilbert spaces Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.165127  0.56
2011 Lin MW, Ling C, Agapito LA, Kioussis N, Zhang Y, Cheng MMC, Wang WL, Kaxiras E, Zhou Z. Approaching the intrinsic band gap in suspended high-mobility graphene nanoribbons Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.125411  0.56
2010 Agapito LA, Kioussis N, Kaxiras E. Electric-field control of magnetism in graphene quantum dots: Ab initio calculations. Physical Review. B, Condensed Matter and Materials Physics. 82: 201411. PMID 21765631 DOI: 10.1103/Physrevb.82.201411  0.56
2009 Cao C, Kemper AF, Agapito L, Zhang JW, He Y, Rinzler A, Cheng HP, Zhang XG, Rocha AR, Sanvito S. Nonequilibrium Green's function study of Pd 4 -cluster-functionalized carbon nanotubes as hydrogen sensors Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.075127  0.56
2009 Balbuena PB, Wang Y, Lamas EJ, Calvo SR, Agapito LA, Seminario JM. Reactivity of bimetallic nanoclusters toward the oxygen reduction in acid medium Topics in Applied Physics. 113: 509-532. DOI: 10.1007/978-0-387-78691-9_19  0.56
2007 Agapito LA, Seminario JM. Chapter 1 Metal—molecule—semiconductor junctions:An ab initio analysis Theoretical and Computational Chemistry. 17: 1-54. DOI: 10.1016/S1380-7323(07)80019-7  1
2006 Agapito LA, Maffei MG, Salazar PF, Seminario JM. Performance of multiplicity-based energy correctors for molecules containing second-row elements. The Journal of Physical Chemistry. A. 110: 4260-5. PMID 16553379 DOI: 10.1021/Jp057235N  0.56
2006 Seminario JM, Maffei MG, Agapito LA, Salazar PF. Energy correctors for accurate prediction of molecular energies. The Journal of Physical Chemistry. A. 110: 1060-4. PMID 16420008 DOI: 10.1021/Jp055460Z  0.56
2005 Seminario JM, Agapito LA, Yan L, Balbuena PB. Density functional theory study of adsorption of OOH on Pt-based bimetallic clusters alloyed with Cr, Co, and Ni Chemical Physics Letters. 410: 275-281. DOI: 10.1016/J.Cplett.2005.05.077  0.56
2004 Seminario JM, Ma Y, Agapito LA, Yan L, Araujo RA, Bingi S, Vadlamani NS, Chagarlamudi K, Sudarshan TS, Myrick ML, Colavita PE, Franzon PD, Nackashi DP, Cheng L, Yao Y, et al. Clustering effects on discontinuous gold film NanoCells. Journal of Nanoscience and Nanotechnology. 4: 907-17. PMID 15570981 DOI: 10.1166/Jnn.2004.104  0.56
2003 Balbuena PB, Altomare D, Agapito L, Seminario JM. Theoretical analysis of oxygen adsorption on Pt-based clusters alloyed with Co, Ni, or Cr embedded in a Pt matrix Journal of Physical Chemistry B. 107: 13671-13680. DOI: 10.1021/Jp035729J  0.56
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