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David Alan Drabold, Ph.D. - Publications

Affiliations: 
1993- Department of Physics & Astronomy Ohio University, Athens, OH, United States 
Area:
Materials Theory and Condensed Matter Theory.
Website:
http://daviddrabold.com
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261 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
2024 Morrow JD, Ugwumadu C, Drabold DA, Elliott SR, Goodwin AL, Deringer VL. Understanding Defects in Amorphous Silicon with Million-Atom Simulations and Machine Learning. Angewandte Chemie (International Ed. in English). e202403842. PMID 38517212 DOI: 10.1002/anie.202403842  0.819
2021 Deringer VL, Bernstein N, Csányi G, Ben Mahmoud C, Ceriotti M, Wilson M, Drabold DA, Elliott SR. Origins of structural and electronic transitions in disordered silicon. Nature. 589: 59-64. PMID 33408379 DOI: 10.1038/s41586-020-03072-z  0.607
2020 Thapa R, Bhattarai B, Kozicki MN, Subedi KN, Drabold DA. Structure and charge transport of amorphous Cu-doped Ta2O5 : An ab initio study Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.064603  0.655
2020 Alajerami YS, Drabold DA, Mhareb MHA, Subedi KN, Cimatu KLA, Chen G. Physical, structural, and shielding properties of cadmium bismuth borate-based glasses Journal of Applied Physics. 127: 175102. DOI: 10.1063/1.5143116  0.401
2020 Alajerami YS, Drabold D, Mhareb MHA, Cimatu KLA, Chen G, Kurudirek M. Radiation shielding properties of bismuth borate glasses doped with different concentrations of cadmium oxides Ceramics International. 46: 12718-12726. DOI: 10.1016/J.Ceramint.2020.02.039  0.399
2019 Prasai K, Jiang J, Mishkin A, Shyam B, Angelova S, Birney R, Drabold DA, Fazio M, Gustafson EK, Harry G, Hoback S, Hough J, Lévesque C, MacLaren I, Markosyan A, et al. High Precision Detection of Change in Intermediate Range Order of Amorphous Zirconia-Doped Tantala Thin Films Due to Annealing. Physical Review Letters. 123: 045501. PMID 31491265 DOI: 10.1103/Physrevlett.123.045501  0.694
2019 Bernstein N, Bhattarai B, Csányi G, Drabold DA, Elliott SR, Deringer V. Quantifying Chemical Structure and Machine-Learned Atomic Energies in Amorphous and Liquid Silicon. Angewandte Chemie (International Ed. in English). PMID 30835962 DOI: 10.1002/Anie.201902625  0.76
2019 Itoh S, Ordejón P, Drabold DA, Martin RM. Structure and energetics of giant fullerenes: An order-N molecular-dynamics study. Physical Review. B, Condensed Matter. 53: 2132-2140. PMID 9983678 DOI: 10.1103/Physrevb.53.2132  0.606
2019 Subedi KN, Prasai K, Kozicki MN, Drabold DA. Structural origins of electronic conduction in amorphous copper-doped alumina Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.065605  0.759
2019 Limbu DK, Madueke MU, Atta-Fynn R, Drabold DA, Biswas P. Ab initio density-functional studies of 13-atom Cu and Ag clusters Journal of Physics: Conference Series. 1252: 012009. DOI: 10.1088/1742-6596/1252/1/012009  0.802
2019 Paudel D, Atta-Fynn R, Drabold DA, Biswas P. Effect of low-temperature annealing on void-related microstructure in amorphous silicon: A computational study Journal of Physics: Conference Series. 1252: 012005. DOI: 10.1088/1742-6596/1252/1/012005  0.782
2019 Bhattarai B, Thapa R, Drabold DA. Ab initio inversion of structure and the lattice dynamics of a metallic glass: the case of Pd40Ni40P20 Modelling and Simulation in Materials Science and Engineering. 27: 075002. DOI: 10.1088/1361-651X/Ab2Ebe  0.706
2019 Atta-Fynn R, Drabold DA, Biswas P. First principles modeling of the structural, electronic, and vibrational properties of Ni40Pd40P20 bulk metallic glass Journal of Non-Crystalline Solids: X. 1: 100004. DOI: 10.1016/J.NOCX.2018.100004  0.798
2019 Igram D, Castillo HE, Drabold D. Structure and dynamics of a silver-doped chalcogenide glass: An ab initio study Journal of Non-Crystalline Solids. 514: 1-9. DOI: 10.1016/J.Jnoncrysol.2019.03.012  0.817
2018 Bhattarai B, Biswas P, Atta-Fynn R, Drabold DA. Amorphous graphene: a constituent part of low density amorphous carbon. Physical Chemistry Chemical Physics : Pccp. PMID 29999055 DOI: 10.1039/C8Cp02545B  0.786
2018 Limbu DK, Atta-Fynn R, Drabold DA, Elliott SR, Biswas P. Information-driven inverse approach to disordered solids: Applications to amorphous silicon Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.115602  0.779
2018 Paudel D, Atta-Fynn R, Drabold DA, Elliott SR, Biswas P. Small-angle x-ray scattering in amorphous silicon: A computational study Physical Review B. 97. DOI: 10.1103/Physrevb.97.184202  0.785
2018 Igram D, Bhattarai B, Biswas P, Drabold D. Large and realistic models of amorphous silicon Journal of Non-Crystalline Solids. 492: 27-32. DOI: 10.1016/J.Jnoncrysol.2018.04.011  0.822
2018 Bhattarai B, Pandey A, Drabold D. Evolution of amorphous carbon across densities: An inferential study Carbon. 131: 168-174. DOI: 10.1016/J.Carbon.2018.01.103  0.76
2018 Prasai K, Subedi KN, Ferris K, Biswas P, Drabold DA. Spatial Projection of Electronic Conductivity: The Example of Conducting Bridge Memory Materials Physica Status Solidi (Rrl) - Rapid Research Letters. 12: 1800238. DOI: 10.1002/Pssr.201800238  0.771
2017 Prasai K, Chen G, Drabold DA. Amorphous to amorphous insulator-metal transition in GeSe3 :Ag glasses Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.015603  0.662
2017 Sadjadi M, Bhattarai B, Drabold DA, Thorpe MF, Wilson M. Refining glass structure in two dimensions Physical Review B. 96. DOI: 10.1103/Physrevb.96.201405  0.751
2017 Limbu DK, Atta-Fynn R, Drabold DA, Elliott SR, Biswas P. Structural properties of transition-metal clusters via force-biased Monte Carlo and ab initio calculations: A comparative study Physical Review B. 96. DOI: 10.1103/Physrevb.96.174208  0.785
2017 Atta-Fynn R, Drabold DA, Elliott SR, Biswas P. First-principles simulations of vibrational decay and lifetimes ina-Si:H anda-Si:D Physical Review B. 95. DOI: 10.1103/Physrevb.95.104205  0.788
2017 Biswas P, Paudel D, Atta-Fynn R, Drabold DA, Elliott SR. Morphology and Number Density of Voids in Hydrogenated Amorphous Silicon: AnAb InitioStudy Physical Review Applied. 7. DOI: 10.1103/Physrevapplied.7.024013  0.792
2017 Pandey A, Scherich H, Drabold D. Density functional theory model of amorphous zinc oxide (a-ZnO) and a-X0.375Z0.625O (X= Al, Ga and In) Journal of Non-Crystalline Solids. 455: 98-101. DOI: 10.1016/J.Jnoncrysol.2016.10.035  0.669
2017 Bhattarai B, Drabold D. Amorphous carbon at low densities: An ab initio study Carbon. 115: 532-538. DOI: 10.1016/J.Carbon.2017.01.031  0.685
2016 Pandey A, Biswas P, Drabold DA. Inversion of diffraction data for amorphous materials. Scientific Reports. 6: 33731. PMID 27652893 DOI: 10.1038/Srep33731  0.8
2016 Pandey A, Biswas P, Bhattarai B, Drabold DA. Realistic inversion of diffraction data for an amorphous solid: The case of amorphous silicon Physical Review B. 94. DOI: 10.1103/Physrevb.94.235208  0.829
2016 Prasai K, Biswas P, Drabold DA. Electrons and phonons in amorphous semiconductors Semiconductor Science and Technology. 31. DOI: 10.1088/0268-1242/31/7/073002  0.836
2016 Bhattarai B, Drabold DA. Vibrations in amorphous silica Journal of Non-Crystalline Solids. 439: 6-14. DOI: 10.1016/J.Jnoncrysol.2016.02.002  0.677
2016 Prasai K, Biswas P, Drabold DA. Electronically designed amorphous carbon and silicon Physica Status Solidi (a) Applications and Materials Science. DOI: 10.1002/Pssa.201532973  0.821
2015 Prasai K, Biswas P, Drabold DA. Sculpting the band gap: a computational approach. Scientific Reports. 5: 15522. PMID 26490203 DOI: 10.1038/Srep15522  0.821
2015 Biswas P, Drabold DA. Correlations between higher-order rings and microvoids in hydrogenated amorphous silicon Materials Research Society Symposium Proceedings. 1757: 26-31. DOI: 10.1557/Opl.2015.47  0.816
2015 Pandey A, Biswas P, Drabold DA. Force-enhanced atomic refinement: Structural modeling with interatomic forces in a reverse Monte Carlo approach applied to amorphous Si and SiO2 Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.155205  0.807
2015 Sharma R, Prasai K, Drabold DA, Adarsh KV. Ultrafast defect dynamics: A new approach to all optical broadband switching employing amorphous selenium thin films Aip Advances. 5. DOI: 10.1063/1.4927543  0.679
2015 Li Y, Drabold DA. Electronic signatures of topological disorder in amorphous graphene Iet Circuits, Devices and Systems. 9: 13-18. DOI: 10.1049/Iet-Cds.2014.0034  0.575
2015 Prasai B, Drabold DA. Transition metals in phase-change memory materials: Impact upon crystallization Springer Series in Materials Science. 215: 511-524. DOI: 10.1007/978-3-319-15675-0_19  0.326
2014 Prasai K, Drabold DA. Simulations of silver-doped germanium-selenide glasses and their response to radiation. Nanoscale Research Letters. 9: 594. PMID 25426005 DOI: 10.1186/1556-276X-9-594  0.7
2014 Barik AR, Bapna M, Drabold DA, Adarsh KV. Ultrafast light induced unusually broad transient absorption in the sub-bandgap region of GeSe2 thin film. Scientific Reports. 4: 3686. PMID 24418896 DOI: 10.1038/Srep03686  0.374
2014 Pandey A, Cai B, Podraza N, Drabold DA. Electrical activity of boron and phosphorus in hydrogenated amorphous Silicon Physical Review Applied. 2. DOI: 10.1103/Physrevapplied.2.054005  0.64
2014 Biswas P, Drabold DA, Atta-Fynn R. Microstructure from joint analysis of experimental data and ab initio interactions: Hydrogenated amorphous silicon Journal of Applied Physics. 116. DOI: 10.1063/1.4905024  0.799
2014 Haycock BJ, Lander G, Rice MK, Prasai K, Prasai B, Drabold DA, Lewis JP. High-throughput evaluation in nitrogen doping of amorphous titanium dioxide Physica Status Solidi (B) Basic Research. 251: 1225-1230. DOI: 10.1002/Pssb.201451010  0.81
2013 Pfanner G, Freysoldt C, Neugebauer J, Inam F, Drabold D, Jarolimek K, Zeman M. Dangling-bond defect in a-Si:H: Characterization of network and strain effects by first-principles calculation of the EPR parameters Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.125308  0.731
2013 Prasai B, Chen G, Drabold DA. Direct ab-initio molecular dynamic study of ultrafast phase change in Ag-alloyed Ge2Sb2Te5 Applied Physics Letters. 102. DOI: 10.1063/1.4789877  0.782
2013 Prasai B, Kordesch ME, Drabold DA, Chen G. Atomistic origin of rapid crystallization of Ag-doped Ge-Sb-Te alloys: A joint experimental and theoretical study Physica Status Solidi (B) Basic Research. 250: 1785-1790. DOI: 10.1002/Pssb.201349150  0.784
2013 Drabold DA, Davis EA. Honoring S. R. Elliott Physica Status Solidi (B). 250: 923-926. DOI: 10.1002/Pssb.201341618  0.287
2013 Li Y, Drabold DA. Symmetry breaking and low energy conformational fluctuations in amorphous graphene Physica Status Solidi (B) Basic Research. 250: 1012-1019. DOI: 10.1002/Pssb.201248481  0.477
2013 Zhang ML, Drabold DA. Radiation fields for nanoscale systems Physica Status Solidi (B) Basic Research. 250: 1052-1061. DOI: 10.1002/Pssb.201248479  0.335
2012 Cai B, Drabold DA. Theoretical studies of structure and doping of hydrogenated amorphous silicon Materials Research Society Symposium Proceedings. 1321: 297-305. DOI: 10.1557/Opl.2011.1095  0.588
2012 Zhang ML, Drabold DA. Theory of temperature coefficient of resistivity: Application to amorphous Si and Ge Epl. 98. DOI: 10.1209/0295-5075/98/17005  0.46
2012 Zhang ML, Drabold DA. Approximate theory of temperature coefficient of resistivity of amorphous semiconductors Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.125135  0.437
2012 Zelený M, Hegedüs J, Foster AS, Drabold DA, Elliott SR, Nieminen RM. Ab initio study of Cu diffusion in α-cristobalite New Journal of Physics. 14. DOI: 10.1088/1367-2630/14/11/113029  0.526
2012 Prasai B, Cai B, Underwood MK, Lewis JP, Drabold DA. Properties of amorphous and crystalline titanium dioxide from first principles Journal of Materials Science. 47: 7515-7521. DOI: 10.1007/S10853-012-6439-6  0.821
2011 Zhang M, Drabold DA. The work done by an external electromagnetic field. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 23: 085801. PMID 21411902 DOI: 10.1088/0953-8984/23/8/085801  0.593
2011 Zhang M, Drabold DA. Comparison of the Kubo formula, the microscopic response method, and the Greenwood formula. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 83: 012103. PMID 21405730 DOI: 10.1103/Physreve.83.012103  0.608
2011 Cai B, Drabold DA. Properties of amorphous GaN from first-principles simulations Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.075216  0.54
2011 Prasai B, Drabold DA. Ab initio simulation of solid electrolyte materials in liquid and glassy phases Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.094202  0.79
2011 Cai B, Zhang X, Drabold DA. Building block modeling technique: Application to ternary chalcogenide glasses g-Ge2As4Se4 and g-AsGe 0.8Se0.8 Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.092202  0.571
2011 Drabold DA, Li Y, Cai B, Zhang M. Urbach tails of amorphous silicon Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.045201  0.687
2011 Cai B, Goodwin AL, Drabold DA. Spatial uniformity as a principle for determination of atomistic structural models Modelling and Simulation in Materials Science and Engineering. 19. DOI: 10.1088/0965-0393/19/3/035010  0.555
2011 Drabold DA. Silicon: The gulf between crystalline and amorphous Physica Status Solidi - Rapid Research Letters. 5: 359-360. DOI: 10.1002/Pssr.201105444  0.343
2011 Drabold D, Demkov A, Lewis JP, Ortega J, Windl W, Lindsay S. Front Cover: Large-scale simulations in materials science (Phys. Status Solidi B 9/2011) Physica Status Solidi (B). 248: n/a-n/a. DOI: 10.1002/Pssb.201190027  0.762
2011 Lewis JP, Jelínek P, Ortega J, Demkov AA, Trabada DG, Haycock B, Wang H, Adams G, Tomfohr JK, Abad E, Drabold DA. Advances and applications in the FIREBALL ab initio tight-binding molecular-dynamics formalism Physica Status Solidi (B) Basic Research. 248: 1989-2007. DOI: 10.1002/Pssb.201147259  0.801
2011 Li Y, Inam F, Kumar A, Thorpe MF, Drabold DA. Pentagonal puckering in a sheet of amorphous graphene Physica Status Solidi (B) Basic Research. 248: 2082-2086. DOI: 10.1002/Pssb.201147195  0.766
2011 Zhang M, Drabold DA. The microscopic response method: Theory of transport for systems with both topological and thermal disorder Physica Status Solidi (B) Basic Research. 248: 2015-2026. DOI: 10.1002/Pssb.201147036  0.366
2011 Prasai B, Cai B, Drabold DA, Underwood MK, Lewis AP. Ab-initio calculation of structural and electrical properties of amorphous TiO 2 Materials Science and Technology Conference and Exhibition 2011, Ms and T'11. 1: 12-20.  0.436
2010 Cliffe MJ, Dove MT, Drabold DA, Goodwin AL. Structure determination of disordered materials from diffraction data. Physical Review Letters. 104: 125501. PMID 20366543 DOI: 10.1103/Physrevlett.104.125501  0.499
2010 Zhang M, Drabold DA. Phonon driven transport in amorphous semiconductors: transition probabilities The European Physical Journal B. 77: 7-23. DOI: 10.1140/Epjb/E2010-00233-0  0.441
2010 Zhang ML, Drabold DA. Alternative approach to computing transport coefficients: Application to conductivity and hall coefficient of hydrogenated amorphous silicon Physical Review Letters. 105. DOI: 10.1103/Physrevlett.105.186602  0.373
2010 Cliffe MJ, Dove MT, Drabold DA, Goodwin AL. Structure determination of disordered materials from diffraction data Physical Review Letters. 104. DOI: 10.1103/PhysRevLett.104.125501  0.298
2010 Zhang ML, Drabold DA. Electrical conductivity calculations: Structural disorder and the role of degenerate or resonant electron states Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.085210  0.395
2010 Santos I, Castrillo P, Windl W, Drabold DA, Pelaz L, Marqués LA. Self-trapping in B-doped amorphous Si: Intrinsic origin of low acceptor efficiency Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.033203  0.668
2010 Cai B, Drabold DA, Elliott SR. Structural fingerprints of electronic change in the phase-change-material: Ge2 Sb2 Te5 Applied Physics Letters. 97. DOI: 10.1063/1.3516039  0.586
2010 Chen G, Inam F, Drabold DA. Structural origin of the intermediate phase in Ge-Se glasses Applied Physics Letters. 97. DOI: 10.1063/1.3495775  0.702
2010 Kapko V, Drabold DA, Thorpe MF. Front Cover (Phys. Status Solidi B 5/2010) Physica Status Solidi (B). 247: n/a-n/a. DOI: 10.1002/Pssb.201090007  0.511
2010 Kapko V, Drabold DA, Thorpe MF. Electronic structure of a realistic model of amorphous graphene Physica Status Solidi (B) Basic Research. 247: 1197-1200. DOI: 10.1002/Pssb.200945581  0.591
2010 Inam F, Lewis JP, Drabold DA. Hidden structure in amorphous solids Physica Status Solidi (a) Applications and Materials Science. 207: 599-604. DOI: 10.1002/Pssa.200982877  0.791
2009 Biswas P, Tafen DN, Inam F, Cai B, Drabold DA. Materials modeling by design: applications to amorphous solids. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 084207. PMID 21817359 DOI: 10.1088/0953-8984/21/8/084207  0.809
2009 Drabold DA. Topics in the theory of amorphous materials European Physical Journal B. 68: 1-21. DOI: 10.1140/Epjb/E2009-00080-0  0.472
2009 Cai B, Drabold DA. Ab initio models of amorphous InN Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.195204  0.627
2009 Chakraborty S, Drabold DA. Static and dynamic properties of hydrogenated amorphous silicon with voids Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.115214  0.4
2009 Chaudhuri I, Inam F, Drabold DA. Ab initio determination of ion traps and the dynamics of silver in silver-doped chalcogenide glass Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.100201  0.666
2009 Antoine K, Jain H, Vlcek M, Senanayake SD, Drabold DA. Chemical origin of polarization-dependent photoinduced changes in an As36 Se64 glass film via in situ synchrotron x-ray photoelectron spectroscopy Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.054204  0.552
2009 Inam F, Tafen DN, Chen G, Drabold DA. Competing stoichiometric phases and the intermediate phase in GexSe1-x glasses Physica Status Solidi (B) Basic Research. 246: 1849-1853. DOI: 10.1002/Pssb.200982016  0.792
2008 Pan Y, Inam F, Zhang M, Drabold DA. Atomistic origin of urbach tails in amorphous silicon. Physical Review Letters. 100: 206403. PMID 18518560 DOI: 10.1103/Physrevlett.100.206403  0.77
2008 Chakraborty S, Bobela DC, Taylor PC, Drabold DA. Voids in hydrogenated amorphous silicon: A comparison of ab initio simulations and proton NMR studies Materials Research Society Symposium Proceedings. 1066: 279-284. DOI: 10.1557/Proc-1066-A11-02  0.469
2008 Zhang M, Pan Y, Inam F, Drabold DA. Semiquantitative scattering theory of amorphous materials Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.195208  0.742
2008 Pan Y, Zhang M, Drabold DA. Topological and topological-electronic correlations in amorphous silicon Journal of Non-Crystalline Solids. 354: 3480-3485. DOI: 10.1016/J.Jnoncrysol.2008.02.021  0.605
2008 Inam F, Drabold DA. Theoretical study of an amorphous chalcogenide surface Journal of Non-Crystalline Solids. 354: 2495-2499. DOI: 10.1016/J.Jnoncrysol.2007.09.118  0.658
2008 Abtew TA, Zhang M, Pan Y, Drabold DA. Electrical conductivity and Meyer-Neldel rule: The role of localized states in hydrogenated amorphous silicon Journal of Non-Crystalline Solids. 354: 2909-2913. DOI: 10.1016/J.Jnoncrysol.2007.09.103  0.608
2008 Drabold DA, Abtew TA, Inam F, Pan Y. Network structure and dynamics of hydrogenated amorphous silicon Journal of Non-Crystalline Solids. 354: 2149-2154. DOI: 10.1016/J.Jnoncrysol.2007.09.081  0.777
2008 Biswas P, Drabold DA. Inverse approach to atomistic modeling: Applications to a-Si:H and g-GeSe2 Journal of Non-Crystalline Solids. 354: 2697-2701. DOI: 10.1016/J.Jnoncrysol.2007.09.043  0.831
2008 Drabold DA, Zhang X, Li J. First principles molecular dynamics and photo structural response in amorphous silicon and chalcogenide glasses Photo-Induced Metastability in Amorphous Semiconductors. 260-278. DOI: 10.1002/9783527602544.ch15  0.367
2007 Abtew TA, Inam F, Drabold DA. Thermally stimulated H emission and diffusion in hydrogenated amorphous silicon Epl. 79. DOI: 10.1209/0295-5075/79/36001  0.715
2007 Biswas P, Atta-Fynn R, Drabold DA. Experimentally constrained molecular relaxation: The case of hydrogenated amorphous silicon Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.125210  0.818
2007 Abtew TA, Zhang M, Drabold DA. Ab initio estimate of temperature dependence of electrical conductivity in a model amorphous material: Hydrogenated amorphous silicon Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.045212  0.492
2007 Abtew TA, Drabold DA. Ab initio models of amorphous Si1-x Gex: H Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.045201  0.436
2007 Inam F, Shatnawi MT, Tafen D, Billinge SJL, Chen P, Drabold DA. An intermediate phase in GexSe1-x glasses: Experiment and simulation Journal of Physics Condensed Matter. 19. DOI: 10.1088/0953-8984/19/45/455206  0.803
2007 Biswas P, Atta-Fynn R, Chakraborty S, Drabold DA. Real space information from fluctuation electron microscopy: Applications to amorphous silicon Journal of Physics Condensed Matter. 19. DOI: 10.1088/0953-8984/19/45/455202  0.8
2007 Abelson J, Drabold D, Elliot S, Voyles P. Proceedings of the International Conference on Nanoscale Order in Amorphous and Partially Ordered Solids, Trinity College, Cambridge, UK, July 9–11, 2007 Journal of Physics: Condensed Matter. 19: 450301. DOI: 10.1088/0953-8984/19/45/450301  0.603
2006 Abtew TA, Drabold DA. Hydrogen dynamics and light-induced structural changes in hydrogenated amorphous silicon Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.085201  0.481
2006 Abtew TA, Drabold DA. Atomistic simulation of light-induced changes in hydrogenated amorphous silicon Journal of Physics Condensed Matter. 18: L1-L6. DOI: 10.1088/0953-8984/18/1/L01  0.473
2006 Drabold DA, Estreicher SK. Defect theory: An armchair history Topics in Applied Physics. 104: 11-28. DOI: 10.1007/11690320_2  0.26
2006 Drabold DA, Abtew TA. Defects in amorphous semiconductors: Amorphous silicon Topics in Applied Physics. 104: 245-268. DOI: 10.1007/11690320_11  0.445
2006 Abtew TA, Drabold DA. Light-induced structural changes in hydrogenated amorphous silicon Journal of Optoelectronics and Advanced Materials. 8: 1979-1988.  0.379
2006 Drabold DA, Estreicher SK. Topics in Applied Physics: Preface Topics in Applied Physics. 104: VII-VIII.  0.222
2005 Bandyopadhyay K, Bhattacharya AK, Biswas P, Drabold DA. Maximum entropy and the problem of moments: a stable algorithm. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 057701. PMID 16089706 DOI: 10.1103/Physreve.71.057701  0.787
2005 Tafen DN, Drabold DA, Mitkova M. Silver transport in GexSe1-x:Ag materials: Ab initio simulation of a solid electrolyte Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.054206  0.771
2005 Tafen DN, Drabold DA. Models and modeling schemes for binary IV-VI glasses Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.054206  0.789
2005 Biswas P, Tafen DN, Drabold DA. Experimentally constrained molecular relaxation: The case of glassy GeSe 2 Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.054204  0.826
2005 Ludlam JJ, Taraskin SN, Elliott SR, Drabold DA. Universal features of localized eigenstates in disordered systems Journal of Physics Condensed Matter. 17: L321-L327. DOI: 10.1088/0953-8984/17/30/L01  0.536
2005 Abtew TA, Drabold DA, Taylor PC. Studies of silicon dihydride and its potential role in light-induced metastability in hydrogenated amorphous silicon Applied Physics Letters. 86: 1-3. DOI: 10.1063/1.1943488  0.396
2005 Tafen DN, Drabold DA, Mitkova M. Direct ab initio simulation of silver ion dynamics in chalcogenide glasses Physica Status Solidi (B) Basic Research. 242: R55-R57. DOI: 10.1002/Pssb.200510023  0.755
2004 Atta-Fynn R, Biswas P, Drabold DA. Electron-phonon coupling is large for localized states Physical Review B - Condensed Matter and Materials Physics. 69: 245204-1-245204-5. DOI: 10.1103/Physrevb.69.245204  0.815
2004 Biswas P, Atta-Fynn R, Drabold DA. Reverse Monte Carlo modeling of amorphous silicon Physical Review B - Condensed Matter and Materials Physics. 69: 195207-1-195207-5. DOI: 10.1103/Physrevb.69.195207  0.82
2004 Atta-Fynn R, Biswas P, Ordejón P, Drabold DA. Systematic study of electron localization in an amorphous semiconductor Physical Review B - Condensed Matter and Materials Physics. 69: 852071-8520710. DOI: 10.1103/Physrevb.69.085207  0.815
2004 Drabold DA, Mousseau N. Michael F Thorpe Journal of Physics: Condensed Matter. 16. DOI: 10.1088/0953-8984/16/44/E01  0.531
2004 Abtew TA, Drabold DA. Thermally driven hopping and electron transport in amorphous materials from density functional calculations Journal of Physics Condensed Matter. 16: S5289-S5296. DOI: 10.1088/0953-8984/16/44/025  0.412
2004 Biswas P, De Tafen N, Atta-Fynn R, Drabold D. The inclusion of experimental information in first principles modelling of materials Journal of Physics Condensed Matter. 16. DOI: 10.1088/0953-8984/16/44/014  0.813
2004 Biswas P, Atta-Fynn R, Drabold DA. Constrained Monte Carlo approach to modeling disordered materials Microscopy and Microanalysis. 10: 804-805. DOI: 10.1017/S1431927604884460  0.779
2004 Antoine K, Jain H, Li J, Drabold DA, Vlček M, Miller AC. Photoinduced changes in the electronic structure of As4Se 3 glass Journal of Non-Crystalline Solids. 349: 162-167. DOI: 10.1016/S0022-3093(03)00402-2  0.538
2003 Tafen DN, Drabold DA. Realistic models of binary glasses from models of tetrahedral amorphous semiconductors Physical Review B - Condensed Matter and Materials Physics. 68: 1652081-1652085. DOI: 10.1103/Physrevb.68.165208  0.783
2003 Yu M, Jayanthi CS, Drabold DA, Wu SY. Enhanced radiative transition in SinGem nanoclusters Physical Review B - Condensed Matter and Materials Physics. 68: 354041-354048. DOI: 10.1103/Physrevb.68.035404  0.387
2003 Li J, Drabold DA. Electron hopping between localized states: A simulation of the finite-temperature Anderson problem using density functional methods Physical Review B - Condensed Matter and Materials Physics. 68: 331031-331034. DOI: 10.1103/Physrevb.68.033103  0.367
2003 Li J, Drabold DA. Electron hopping between localized states: A simulation of the finite-temperature Anderson problem using density functional methods Physical Review B. 68. DOI: 10.1103/physrevb.68.033103  0.337
2003 Durandurdu M, Drabold DA. High-pressure phases of amorphous and crystalline silicon Physical Review B - Condensed Matter and Materials Physics. 67: 2121011-2121013. DOI: 10.1103/Physrevb.67.212101  0.636
2003 Blaineau S, Jund P, Drabold DA. Physical properties of a GeS2 glass using approximate ab initio molecular dynamics Physical Review B - Condensed Matter and Materials Physics. 67: 942041-942046. DOI: 10.1103/Physrevb.67.094204  0.47
2003 Drabold DA, Li J, Tafen DN. Simulations of arsenic selenide glasses Journal of Physics Condensed Matter. 15: S1529-S1536. DOI: 10.1088/0953-8984/15/16/302  0.768
2003 Chen G, Jain H, Vlcek M, Khalid S, Li J, Drabold DA, Elliott SR. Observation of light polarization-dependent structural changes in chalcogenide glasses Applied Physics Letters. 82: 706-708. DOI: 10.1063/1.1541942  0.639
2003 Chen G, Jain H, Vlček M, Li J, Drabold DA, Khalid S, Elliott SR. Study of light-induced vector changes in the local atomic structure of As-Se glasses by EXAFS Journal of Non-Crystalline Solids. 326: 257-262. DOI: 10.1016/S0022-3093(03)00403-4  0.638
2003 Antoine K, Li J, Drabold DA, Jain H, Vlček M, Miller AC. Photoinduced changes in the electronic structure of As2Se 3 glass Journal of Non-Crystalline Solids. 326: 248-256. DOI: 10.1016/S0022-3093(03)00402-2  0.374
2002 Taraskin SN, Drabold DA, Elliott SR. Spatial decay of the single-particle density matrix in insulators: analytic results in two and three dimensions. Physical Review Letters. 88: 196405. PMID 12005655 DOI: 10.1103/Physrevlett.88.196405  0.52
2002 Li J, Drabold DA, Krishnaswami S, Chen G, Jain H. Electronic structure of glassy chalcogenides As4Se4 and As2Se3: a joint theoretical and experimental study. Physical Review Letters. 88: 046803. PMID 11801151 DOI: 10.1103/Physrevlett.88.046803  0.573
2002 Drabold DA, Li J. Electrons and phonons in amorphous Si: Deformation potentials and solutions of the time dependent schrödinger equation Materials Research Society Symposium - Proceedings. 715: 247-255. DOI: 10.1557/Proc-715-A14.1  0.431
2002 Drabold DA, Li J. Electrons and Phonons in amorphous Si: Deformation Potentials and Solutions of the Time Dependent Schrödinger Equation Mrs Proceedings. 715. DOI: 10.1557/PROC-715-A14.1  0.318
2002 Taraskin SN, Fry PA, Zhang X, Drabold DA, Elliott SR. Spatial decay of the single-particle density matrix in tight-binding metals: Analytic results in two dimensions Physical Review B - Condensed Matter and Materials Physics. 66: 2331011-2331014. DOI: 10.1103/Physrevb.66.233101  0.529
2002 Durandurdu M, Drabold DA. Pressure-induced structural phase transition of paracrystalline silicon Physical Review B - Condensed Matter and Materials Physics. 66: 2052041-2052046. DOI: 10.1103/Physrevb.66.205204  0.639
2002 Durandurdu M, Drabold DA. Ab initio simulation of pressure-induced low-energy excitations in amorphous silicon Physical Review B - Condensed Matter and Materials Physics. 66: 1552051-1552055. DOI: 10.1103/Physrevb.66.155205  0.616
2002 Nakhmanson SM, Drabold DA, Mousseau N. Comment on ``Boson peak in amorphous silicon: A numerical study'' Physical Review B. 66: 87201. DOI: 10.1103/Physrevb.66.087201  0.757
2002 Durandurdu M, Drabold DA. Ab initio simulation of high-pressure phases of GaAs Physical Review B - Condensed Matter and Materials Physics. 66: 452091-452095. DOI: 10.1103/Physrevb.66.045209  0.609
2002 Durandurdu M, Drabold DA. First-order pressure-induced polyamorphism in germanium Physical Review B - Condensed Matter and Materials Physics. 66: 412011-412014. DOI: 10.1103/Physrevb.66.041201  0.616
2002 Durandurdu M, Drabold DA. Simulation of pressure-induced polyamorphism in a chalcogenide glass GeSe2 Physical Review B - Condensed Matter and Materials Physics. 65: 1042081-1042088. DOI: 10.1103/Physrevb.65.104208  0.616
2002 Chen K, Drabold DA. First principles molecular dynamics study of amorphous Al xGa 1-xN alloys Journal of Applied Physics. 91: 9743-9751. DOI: 10.1063/1.1478132  0.39
2002 Li J, Drabold DA. Atomistic simulation of the finite-temperature Anderson localization problem Physica Status Solidi (B) Basic Research. 233: 10-17. DOI: 10.1002/1521-3951(200209)233:1<10::Aid-Pssb10>3.0.Co;2-V  0.394
2002 Nakhmanson SM, Drabold DA, Mousseau N. Comment on "Boson peak in amorphous silicon: A numerical study" Physical Review B - Condensed Matter and Materials Physics. 66: 872011-872012.  0.746
2002 Taraskin SN, Drabold DA, Elliott SR. Spatial decay of the single-particle density matrix in insulators: Analytic results in two and three dimensions Physical Review Letters. 88: 1964051-1964054.  0.303
2002 Li J, Drabold DA, Chen G, Jain H. Electronic structure of glassy chalcogenides As4Se4 and As2Se3: A joint theoretical and experimental study Physical Review Letters. 88: 468031-468034.  0.376
2001 Nakhmanson SM, Mousseau N, Barkema GT, Voyles PM, Drabold DA. Models of paracrystalline silicon with a defect-free bandgap International Journal of Modern Physics B. 15: 3253-3257. DOI: 10.1142/S0217979201007580  0.78
2001 Zhang X, Drabold DA. Simulation of the response of amorphous selenium to light International Journal of Modern Physics B. 15: 3190-3196. DOI: 10.1142/S0217979201007476  0.425
2001 Yu M, Jayanthi CS, Drabold DA, Wu SY. Strain relaxation mechanisms and local structural changes in Si 1 − x Ge x alloys Physical Review B. 64: 165205. DOI: 10.1103/Physrevb.64.165205  0.401
2001 Demkov AA, Zhang X, Drabold DA. Towards a first-principles simulation and current-voltage characteristic of atomistic metal-oxide-semiconductor structures Physical Review B - Condensed Matter and Materials Physics. 64: 1253061-1253064. DOI: 10.1103/Physrevb.64.125306  0.646
2001 Li J, Drabold DA. Atomistic comparison between stoichiometric and nonstoichiometric glasses: The cases ofAs2Se3andAs4Se4 Physical Review B. 64. DOI: 10.1103/PhysRevB.64.104206  0.229
2001 Durandurdu M, Drabold DA. Ab initio simulation of first-order amorphous-to-amorphous phase transition of silicon Physical Review B - Condensed Matter and Materials Physics. 64: 141011-141017. DOI: 10.1103/Physrevb.64.014101  0.657
2001 Nakhmanson SM, Voyles PM, Mousseau N, Barkema GT, Drabold DA. Realistic models of paracrystalline silicon Physical Review B - Condensed Matter and Materials Physics. 63: 2352071-2352076. DOI: 10.1103/Physrevb.63.235207  0.782
2001 Zhang X, Drabold DA. Properties of the density matrix from realistic calculations Physical Review B - Condensed Matter and Materials Physics. 63: 2331091-2331094. DOI: 10.1103/Physrevb.63.233109  0.467
2001 Voyles PM, Zotov N, Nakhmanson SM, Drabold DA, Gibson JM, Treacy MMJ, Keblinski P. Structure and physical properties of paracrystailine atomistic models of amorphous silicon Journal of Applied Physics. 90: 4437-4451. DOI: 10.1063/1.1407319  0.725
2001 Drabold D, Li J. Approximate ab initio simulations of amorphous silicon and glassy chalcogenides Current Opinion in Solid State and Materials Science. 5: 509-516. DOI: 10.1016/S1359-0286(02)00004-9  0.444
2001 Chen G, Jain H, Khalid S, Li J, Drabold DA, Elliott SR. Study of structural changes in amorphous As2Se3 by EXAFS under in situ laser irradiation Solid State Communications. 120: 149-153. DOI: 10.1016/S0038-1098(01)00354-4  0.641
2001 Yu M, Jayanthi CS, Drabold DA, Wu SY. Strain relaxation mechanisms and local structural changes in Si1-xGex alloys Physical Review B - Condensed Matter and Materials Physics. 64: 1652051-1652058.  0.417
2001 Li J, Drabold DA. Atomistic comparison between stoichiometric and nonstoichiometric glasses: The cases of As2Se3 and As4Se4 Physical Review B - Condensed Matter and Materials Physics. 64: 1042061-1042068.  0.37
2000 Zhang X, Drabold DA. Structural and electronic properties of glassy GeSe2 surfaces Physical Review B - Condensed Matter and Materials Physics. 62: 15695-15701. DOI: 10.1103/Physrevb.62.15695  0.449
2000 Durandurdu M, Drabold DA, Mousseau N. Approximate ab initio calculations of electronic structure of amorphous silicon Physical Review B - Condensed Matter and Materials Physics. 62: 15307-15310. DOI: 10.1103/Physrevb.62.15307  0.775
2000 Nakhmanson SM, Drabold DA. Low-temperature anomalous specific heat without tunneling modes: A simulation for a-Si with voids Physical Review B - Condensed Matter and Materials Physics. 61: 5376-5380. DOI: 10.1103/Physrevb.61.5376  0.674
2000 Yu M, Ulloa SE, Drabold DA. Local-basis quasiparticle calculations and the dielectric response function of Si clusters Physical Review B - Condensed Matter and Materials Physics. 61: 2626-2631. DOI: 10.1103/Physrevb.61.2626  0.593
2000 Li J, Drabold DA. First-principles molecular-dynamics study of glassy As 2 Se 3 Physical Review B. 61: 11998-12004. DOI: 10.1103/Physrevb.61.11998  0.395
2000 Chen H, Chen K, Drabold DA, Kordesch ME. Band gap engineering in amorphous AlxGa1-xN: Experiment and ab initio calculations Applied Physics Letters. 77: 1117-1119. DOI: 10.1063/1.1289496  0.38
2000 Drabold DA. Anderson transition and thermal effects on electron states in amorphous silicon Journal of Non-Crystalline Solids. 266: 211-217. DOI: 10.1016/S0022-3093(99)00823-6  0.445
2000 Nakhmanson SM, Drabold DA. Computer simulation of low-energy excitations in amorphous silicon with voids Journal of Non-Crystalline Solids. 266: 156-160. DOI: 10.1016/S0022-3093(99)00795-4  0.696
2000 Mousseau N, Drabold DA. Numerical studies of the vibrational isocoordinate rule in chalcogenide glasses European Physical Journal B. 17: 667-671. DOI: 10.1007/S100510070106  0.576
2000 Li J, Drabold DA. First-principles molecular-dynamics study of glassy As2Se3 Physical Review B - Condensed Matter and Materials Physics. 61: 11998-12004.  0.336
2000 Li J, Drabold DA. Direct calculation of light-induced structural change and diffusive motion in glassy As2Se3 Physical Review Letters. 85: 2785-2788.  0.383
1999 Drabold DA, Stephan U, Dong J, Nakhmanson SM. The structure of electronic states in amorphous silicon. Journal of Molecular Graphics & Modelling. 17: 285-91, 330-2. PMID 10840688 DOI: 10.1016/S1093-3263(99)00036-4  0.825
1999 Fedders PA, Drabold DA. A molecular dynamics study of band tails in a-Si:H Materials Research Society Symposium - Proceedings. 557: 403-408. DOI: 10.1557/Proc-557-403  0.715
1999 Zhang X, Drabold DA. Direct Molecular Dynamic Simulation of Light-Induced Structural Change in Amorphous Selenium Physical Review Letters. 83: 5042-5045. DOI: 10.1103/Physrevlett.83.5042  0.504
1999 Drabold DA, Fedders PA. Electronic consequences of the mutual presence of thermal and structural disorder Physical Review B - Condensed Matter and Materials Physics. 60: R721-R725. DOI: 10.1103/Physrevb.60.R721  0.697
1999 Fabricius G, Artacho E, Sánchez-Portal D, Ordejón P, Drabold DA, Soler JM. Atomic layering at the liquid silicon surface: A first-principles simulation Physical Review B - Condensed Matter and Materials Physics. 60: R16283-R16286. DOI: 10.1103/Physrevb.60.R16283  0.395
1999 Fedders PA, Drabold DA, Ordejón P, Fabricius G, Sánchez-Portal D, Artacho E, Soler JM. Application of local-spin-density approximation to a-Si and tetrahedral a-C Physical Review B - Condensed Matter and Materials Physics. 60: 10594-10597. DOI: 10.1103/Physrevb.60.10594  0.699
1998 Dong J, Drabold DA. Atomistic structure of band-tail states in amorphous silicon Physical Review Letters. 80: 1928-1931. DOI: 10.1103/Physrevlett.80.1928  0.732
1998 Fedders PA, Drabold DA, Nakhmanson S. Theoretical study on the nature of band-tail states in amorphous Si Physical Review B - Condensed Matter and Materials Physics. 58: 15624-15631. DOI: 10.1103/Physrevb.58.15624  0.821
1998 Nakhmanson SM, Drabold DA. Approximate ab initio calculation of vibrational properties of hydrogenated amorphous silicon with inner voids Physical Review B - Condensed Matter and Materials Physics. 58: 15325-15328. DOI: 10.1103/Physrevb.58.15325  0.727
1998 Stephan U, Drabold DA, Martin RM. Improved accuracy and acceleration of variational order-N electronic-structure computations by projection techniques Physical Review B - Condensed Matter and Materials Physics. 58: 13472-13481. DOI: 10.1103/Physrevb.58.13472  0.571
1998 Stephan U, Drabold DA. Order-N projection method for first-principles computations of electronic quantities and Wannier functions Physical Review B - Condensed Matter and Materials Physics. 57: 6391-6407. DOI: 10.1103/Physrevb.57.6391  0.372
1998 Dong J, Drabold DA. Ring formation and the structural and electronic properties of tetrahedral amorphous carbon surfaces Physical Review B - Condensed Matter and Materials Physics. 57: 15591-15598. DOI: 10.1103/Physrevb.57.15591  0.687
1998 Yu M, Drabold DA. Density dependence of the structural and electronic properties of amorphous GaN Solid State Communications. 108: 413-417. DOI: 10.1016/S0038-1098(98)00401-3  0.437
1998 Zhang X, Drabold DA. Evidence for valence alternation, and a new structural model of amorphous selenium Journal of Non-Crystalline Solids. 241: 195-199. DOI: 10.1016/S0022-3093(98)00807-2  0.513
1998 Fedders PA, Drabold DA, Stumm P. Theoretical studies of defects and nitrogen doping in tetrahedral amorphous carbon Journal of Non-Crystalline Solids. 588-593. DOI: 10.1016/S0022-3093(98)00145-8  0.816
1998 Fedders PA, Drabold DA. Simulations of boron doping in a-Si:H Journal of Non-Crystalline Solids. 227: 376-379. DOI: 10.1016/S0022-3093(98)00078-7  0.687
1998 Drabold DA, Dong J. Band tail states and the Anderson transition in amorphous silicon Journal of Non-Crystalline Solids. 227: 153-157. DOI: 10.1016/S0022-3093(98)00030-1  0.391
1997 Stumm P, Drabold DA. Structure, electronic properties, defects, and doping of AlN using a self-consistent molecular-dynamics method Materials Research Society Symposium - Proceedings. 468: 111-116. DOI: 10.1557/Proc-468-111  0.822
1997 Fedders PA, Drabold DA. Molecular dynamics investigations of boron doping in a-Si:H Materials Research Society Symposium - Proceedings. 467: 67-72. DOI: 10.1557/Proc-467-67  0.705
1997 Drabold DA, Stumm P. First model of amorphous GaN from ab initio molecular dynamics Materials Research Society Symposium - Proceedings. 449: 947-952. DOI: 10.1557/Proc-449-947  0.835
1997 Stumm P, Drabold DA. Structure, electronic properties, defects of GaN using a self-consistent molecular-dynamics method Materials Research Society Symposium - Proceedings. 449: 941-946. DOI: 10.1557/Proc-449-941  0.823
1997 Noguez C, Esquivel-Sirvent R, Alfonso DR, Ulloa SE, Drabold DA. Optical signature of the GaN (1010) surface Materials Research Society Symposium - Proceedings. 449: 911-916. DOI: 10.1557/Proc-449-911  0.721
1997 Stumm P, Drabold DA. Can amorphous GaN serve as a useful electronic material? Physical Review Letters. 79: 677-680. DOI: 10.1103/Physrevlett.79.677  0.837
1997 Cobb M, Drabold DA. Ab initio molecular-dynamics study of liquid GeSe2 Physical Review B - Condensed Matter and Materials Physics. 56: 3054-3065. DOI: 10.1103/Physrevb.56.3054  0.509
1997 Fedders PA, Drabold DA. Theory of boron doping in a-Si:H Physical Review B - Condensed Matter and Materials Physics. 56: 1864-1867. DOI: 10.1103/Physrevb.56.1864  0.701
1997 Röder H, Silver RN, Drabold DA, Dong JJ. Kernel polynomial method for a nonorthogonal electronic-structure calculation of amorphous diamond Physical Review B - Condensed Matter and Materials Physics. 55: 15382-15385. DOI: 10.1103/Physrevb.55.15382  0.415
1997 Yang SH, Drabold DA, Adams JB, Ordejón P, Glassford K. Density functional studies of small platinum clusters Journal of Physics Condensed Matter. 9: L39-L45. DOI: 10.1088/0953-8984/9/5/002  0.79
1997 Stumm P, Drabold DA, Fedders PA. Defects, doping, and conduction mechanisms in nitrogen-doped tetrahedral amorphous carbon Journal of Applied Physics. 81: 1289-1295. DOI: 10.1063/1.363907  0.802
1997 Cobb M, Cappelletti RL, Drabold DA. Structure, dynamics and electronic properties of liquid and glassy GeSe2 Journal of Non-Crystalline Solids. 222: 348-353. DOI: 10.1016/S0022-3093(97)90135-6  0.482
1996 Drabold DA, Fedders PA, Grumbach MP. Gap formation and defect states in tetrahedral amorphous carbon. Physical Review. B, Condensed Matter. 54: 5480-5484. PMID 9986508 DOI: 10.1103/Physrevb.54.5480  0.703
1996 Cobb M, Drabold DA, Cappelletti RL. Ab initio molecular-dynamics study of the structural, vibrational, and electronic properties of glassy GeSe2. Physical Review. B, Condensed Matter. 54: 12162-12171. PMID 9985075 DOI: 10.1103/Physrevb.54.12162  0.819
1996 Fedders PA, Drabold DA. Molecular-dynamics investigations of conformational fluctuations and low-energy vibrational excitations in a-Si:H. Physical Review. B, Condensed Matter. 53: 3841-3845. PMID 9983936 DOI: 10.1103/Physrevb.53.3841  0.738
1996 Song J, Ulloa SE, Drabold DA. Exciton-induced lattice relaxation and the electronic and vibrational spectra of silicon clusters. Physical Review. B, Condensed Matter. 53: 8042-8051. PMID 9982262 DOI: 10.1103/Physrevb.53.8042  0.648
1996 Dong J, Drabold DA. Band-tail states and the localized-to-extended transition in amorphous diamond Physical Review B - Condensed Matter and Materials Physics. 54: 10284-10287. DOI: 10.1103/Physrevb.54.10284  0.697
1996 Alfonso D, Drabold D, Ulloa S. Structure of diamond(100) stepped surfaces from ab initio calculations Journal of Physics Condensed Matter. 8: 641-647. DOI: 10.1088/0953-8984/8/6/005  0.807
1996 Noguez C, Song J, Ulloa SE, Drabold DA, Yang SH. Size dependence of the optical properties of silicon clusters Superlattices and Microstructures. 20: 405-410. DOI: 10.1006/Spmi.1996.0096  0.793
1996 Feeders PA, Drabold DA. Molecular-dynamics investigations of conformational fluctuations and low-energy vibrational excitations in a-Si:H Physical Review B - Condensed Matter and Materials Physics. 53: 3841-3845.  0.426
1996 Itoh S, Ordejón P, Drabold DA, Martin RM. Structure and energetics of giant fullerenes: An order-N molecular-dynamics study Physical Review B - Condensed Matter and Materials Physics. 53: 2132-2140.  0.309
1996 Cobb M, Drabold DA, Cappelletti RL. Ab initio molecular-dynamics study of the structural, vibrational, and electronic properties of glassy GeSe2 Physical Review B - Condensed Matter and Materials Physics. 54: 12162-12171.  0.437
1996 Alfonso DR, Noguez C, Drabold DA, Ulloa SE. First-principles studies of hydrogenated Si(111)-7×7 Physical Review B - Condensed Matter and Materials Physics. 54: 8028-8032.  0.722
1996 Song J, Ulloa SE, Drabold DA. Exciton-induced lattice relaxation and the electronic and vibrational spectra of silicon clusters Physical Review B - Condensed Matter and Materials Physics. 53: 8042-8051.  0.609
1995 Cappelletti RL, Cobb M, Drabold DA, Kamitakahara WA. Neutron-scattering and ab initio molecular-dynamics study of vibrations in glassy GeSe2. Physical Review. B, Condensed Matter. 52: 9133-9136. PMID 9979942 DOI: 10.1103/Physrevb.52.9133  0.774
1995 Alfonso DR, Drabold DA, Ulloa SE. Phonon modes of diamond (100) surfaces from ab initio calculations. Physical Review. B, Condensed Matter. 51: 1989-1992. PMID 9978934 DOI: 10.1103/Physrevb.51.1989  0.558
1995 Alfonso DR, Drabold DA, Ulloa SE. Structural, electronic, and vibrational properties of diamond (100), (111), and (110) surfaces from ab initio calculations. Physical Review. B, Condensed Matter. 51: 14669-14685. PMID 9978402 DOI: 10.1103/Physrevb.51.14669  0.622
1995 Ordejón P, Drabold DA, Martin RM, Itoh S. Linear scaling method for phonon calculations from electronic structure Physical Review Letters. 75: 1324-1327. DOI: 10.1103/Physrevlett.75.1324  0.661
1995 Cappelletti RL, Cobb M, Drabold DA, Kamitakahara WA. Neutron-scattering and ab initio molecular-dynamics study of vibrations in glassy GeSe2 Physical Review B. 52: 9133-9136. DOI: 10.1103/PhysRevB.52.9133  0.394
1995 Ordejón P, Drabold DA, Martin RM, Grumbach MP. Linear system-size scaling methods for electronic-structure calculations Physical Review B. 51: 1456-1476. DOI: 10.1103/Physrevb.51.1456  0.661
1995 Wang J, Drabold DA, Rockett A. Binding and diffusion of a Si adatom around the type a step on Si(001) c(4×2) Applied Physics Letters. 1954. DOI: 10.1063/1.113288  0.417
1995 Wang J, Drabold DA, Rockett A. Binding and diffusion of a Si adatom around type B steps on Si(001) c(4 × 2) Surface Science. 344: 251-257. DOI: 10.1016/0039-6028(95)00806-3  0.418
1995 Drabold DA, Ordejón P, Dong J, Martin RM. Spectral properties of large fullerenes: From cluster to crystal Solid State Communications. 96: 833-838. DOI: 10.1016/0038-1098(95)00562-5  0.631
1995 Stumm P, Drabold DA. Structural and electronic properties of nitrogen doped fourfold amorphous carbon Solid State Communications. 93: 617-621. DOI: 10.1016/0038-1098(94)00650-2  0.813
1994 Drabold DA, Stumm P, Fedders PA. Comment on "Structure, dynamics, and electronic properties of diamondlike amorphous carbon" Physical Review Letters. 72: 2666. PMID 10055943 DOI: 10.1103/Physrevlett.72.2666  0.801
1994 Drabold DA, Fedders PA, Stumm P. Theory of diamondlike amorphous carbon. Physical Review. B, Condensed Matter. 49: 16415-16422. PMID 10010793 DOI: 10.1103/Physrevb.49.16415  0.763
1994 Alfonso DR, Yang SH, Drabold DA. Ab initio studies of hydrocarbon adsorption on stepped diamond surfaces. Physical Review. B, Condensed Matter. 50: 15369-15380. PMID 9975889 DOI: 10.1103/Physrevb.50.15369  0.714
1994 Fedders PA, Drabold DA. Molecular dynamics studies of diamondlike amorphous carbon Materials Research Society Symposium Proceedings. 336: 171-176. DOI: 10.1557/Proc-336-171  0.675
1994 Ramprasad R, Drabold DA, Adams JB. Density-functional study of chemisorption of oxygen on Al(111) Materials Research Society Symposium Proceedings. 317: 381-386. DOI: 10.1557/Proc-317-381  0.561
1994 Sankey OF, Drabold DA, Gibson A. Projected random vectors and the recursion method in the electronic-structure problem Physical Review B. 50: 1376-1381. DOI: 10.1103/Physrevb.50.1376  0.676
1994 Caro A, Drabold DA, Sankey OF. Properties of the Al-Si solid solution: Dynamical properties of the silicon substitutional and the aluminum vacancy Physical Review B. 49: 6647-6654. DOI: 10.1103/Physrevb.49.6647  0.72
1993 Fedders PA, Drabold DA. Hydrogen and defects in first-principles molecular-dynamics-modeled a-Si:H. Physical Review. B, Condensed Matter. 47: 13277-13282. PMID 10005632 DOI: 10.1103/Physrevb.47.13277  0.736
1993 Drabold DA, Sankey OF. Maximum entropy approach for linear scaling in the electronic structure problem Physical Review Letters. 70: 3631-3634. DOI: 10.1103/Physrevlett.70.3631  0.712
1993 Yang SH, Drabold DA, Adams JB. Ab initio study of diamond C(100) surfaces Physical Review B. 48: 5261-5264. DOI: 10.1103/Physrevb.48.5261  0.78
1993 Kilian KA, Drabold DA, Adams JB. First-principles simulations of a-Si and a-Si:H surfaces Physical Review B. 48: 17393-17399. DOI: 10.1103/Physrevb.48.17393  0.635
1993 Ordejon P, Drabold DA, Grumbach MP, Martin RM. Unconstrained minimization approach for electronic computations that scales linearly with system size Physical Review B. 48: 14646-14649. DOI: 10.1103/Physrevb.48.14646  0.64
1993 Yang SH, Drabold DA, Adams JB, Sachdev A. First-principles local-orbital density-functional study of Al clusters Physical Review B. 47: 1567-1576. DOI: 10.1103/Physrevb.47.1567  0.793
1993 Drabold DA, Adams JB, Anderson DC, Kieffer J. First principles study of polymer-metal-metal-oxide adhesion The Journal of Adhesion. 42: 55-63. DOI: 10.1080/00218469308026570  0.263
1992 Adams GB, Sankey OF, Page JB, O'keeffe M, Drabold DA. Energetics of large fullerenes: balls, tubes, and capsules. Science (New York, N.Y.). 256: 1792-5. PMID 17743034 DOI: 10.1126/Science.256.5065.1792  0.684
1992 Fedders PA, Fu Y, Drabold DA. Atomistic origins of light-induced defects in a-Si. Physical Review Letters. 68: 1888-1891. PMID 10045246 DOI: 10.1103/PhysRevLett.68.1888  0.665
1992 Fedders PA, Drabold DA, Klemm S. Defects, tight binding, and first-principles molecular-dynamics simulations on a-Si. Physical Review. B, Condensed Matter. 45: 4048-4055. PMID 10002017 DOI: 10.1103/Physrevb.45.4048  0.708
1992 Drabold DA, Fedders PA, Klemm S, Sankey OF. Defects and Bandtails in Amorphous Silicon Materials Science Forum. 481-486. DOI: 10.4028/Www.Scientific.Net/Msf.83-87.481  0.788
1992 Fedders PA, Fu Y, Drabold DA. The Atomistic and Quantum Mechanical Origins of Light-Induced Defects in a-Si Mrs Proceedings. 258. DOI: 10.1557/Proc-258-335  0.713
1992 Drabold DA, Fedders PA. Realistic Models of Hydrogenated Amorphous Si Mrs Proceedings. 258. DOI: 10.1557/Proc-258-253  0.742
1992 Phillips R, Drabold DA, Lenosky T, Adams GB, Sankey OF. Electronic structure of schwarzite Physical Review B. 46: 1941-1943. DOI: 10.1103/Physrevb.46.1941  0.71
1992 Adams GB, Sankey OF, Page JB, O'Keeffe M, Drabold DA. Energetics of large fullerenes: Balls, tubes, and capsules Science. 256: 1792-1795.  0.659
1991 Drabold DA, Fedders PA, Klemm S, Sankey OF. Finite-temperature properties of amorphous silicon. Physical Review Letters. 67: 2179-2182. PMID 10044359 DOI: 10.1103/Physrevlett.67.2179  0.811
1991 Drabold DA, Wang R, Klemm S, Sankey OF, Dow JD. Efficient ab initio molecular-dynamics simulations of carbon. Physical Review. B, Condensed Matter. 43: 5132-5134. PMID 9997891 DOI: 10.1103/Physrevb.43.5132  0.663
1991 Drabold DA, Wang R, Klemm S, Sankey OF, Dow JD. Efficient ab initio molecular-dynamics simulations of carbon Physical Review B. 43: 5132-5134. DOI: 10.1103/PhysRevB.43.5132  0.675
1991 Drabold DA, Jones GL. Maximum-entropy approach to series extrapolation and analytic continuation Journal of Physics a: Mathematical and General. 24: 4705-4714. DOI: 10.1088/0305-4470/24/19/029  0.375
1991 Sankey OF, Adams GB, Weng X, Dow JD, Huang YM, Spence JCH, Drabold DA, Hu WM, Wang RP, Klemm S, Fedders PA. First-principles electronic structure calculations with molecular dynamics made easy Superlattices and Microstructures. 10: 407-414. DOI: 10.1016/0749-6036(91)90300-G  0.814
1990 Drabold DA, Dow JD, Fedders PA, Carlsson AE, Sankey OF. Convergence of force calculations for noncrystalline Si. Physical Review. B, Condensed Matter. 42: 5345-5348. PMID 9996105 DOI: 10.1103/Physrevb.42.5345  0.787
1990 Drabold DA, Fedders PA, Sankey OF, Dow JD. Molecular-dynamics simulations of amorphous Si. Physical Review. B, Condensed Matter. 42: 5135-5141. PMID 9996075 DOI: 10.1103/Physrevb.42.5135  0.824
1990 Sankey OF, Niklewski DJ, Drabold DA, Dow JD. Molecular-dynamics determination of electronic and vibrational spectra, and equilibrium structures of small Si clusters. Physical Review. B, Condensed Matter. 41: 12750-12759. PMID 9993752 DOI: 10.1103/Physrevb.41.12750  0.677
1990 Klemm S, Drabold DA, Sankey OF. Ab-Initio Simulations to Study the Configurational Entropy of Column IV Microclusters Mrs Proceedings. 193. DOI: 10.1557/Proc-193-307  0.694
1990 Drabold DA, Klemm S, Sankey OF. Ab Initio Molecular Dynamics of Column IV Microclusters Mrs Proceedings. 193. DOI: 10.1557/Proc-193-177  0.715
1990 Sankey OF, Niklewski DJ, Drabold DA, Dow JD. Molecular-dynamics determination of electronic and vibrational spectra, and equilibrium structures of small Si clusters Physical Review B. 41: 12750-12759. DOI: 10.1103/PhysRevB.41.12750  0.723
1989 Drabold DA, Fedders PA. Nuclear spin-lattice relaxation times for mixtures of ortho- and para-H2: High ortho-H2 concentration. Physical Review. B, Condensed Matter. 39: 1993-1998. PMID 9948430 DOI: 10.1103/PhysRevB.39.1993  0.619
1989 Drabold DA, Fedders PA. Nuclear spin-lattice relaxation times for mixtures of ortho- and para-H2. II. Low ortho-H2 concentration. Physical Review. B, Condensed Matter. 39: 6325-6333. PMID 9947266 DOI: 10.1103/PhysRevB.39.6325  0.618
1988 Drabold DA, Fedders PA. Dipolar broadening in magnetically diluted lattices. Physical Review. B, Condensed Matter. 37: 3440-3447. PMID 9944938 DOI: 10.1103/Physrevb.37.3440  0.64
1988 Drabold DA. Easily evaluated expressions for second and fourth moments of resonant absorption spectra for spin systems Physical Review B. 37: 565-568. DOI: 10.1103/PhysRevB.37.565  0.288
1983 Creel R, Drabold D. Exact analytic solution of the spin combined Zeeman-quadrupole Hamiltonian Journal of Molecular Structure. 111: 85-90. DOI: 10.1016/0022-2860(83)85101-1  0.191
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