Publications

(0) R. B. Creel and D. A. Drabold, Exact analytic solution to the spin-3/2 combined Zeeman-Quadrupole Hamiltonian, J. Mol. Struc. 111 85 (1983)

(1) D. A. Drabold, Easily evaluated expressions for second and fourth moments of resonant absorption spectra for spin systems, Phys. Rev. B 37 565 (1988)

(2)  D. A. Drabold, P. A. Fedders, Dipolar Broadening in Magnetically Diluted Lattices ,  Phys. Rev. B 37 3440 (1988)

(2a) D. A. Drabold, A. E. Carlsson and P. A. Fedders, Applications of Maximum Entropy to Condensed Matter Physics, Maximum Entropy and Bayesian Methods, Cambridge, England, 1988. Edited by John Skilling, Kluwer, Dordrecht p 137 (1988).

(3) D. A. Drabold, P. A. Fedders, Nuclear spin-lattice relaxation times for mixtures of ortho and para H2: High ortho concentration, Phys. Rev. B 39 1993 (1989).

(4)  D. A. Drabold, P. A. Fedders, Nuclear spin-lattice relaxation times for mixtures of ortho and  para H2 : II. Low ortho concentration, Phys. Rev. B 39 6325 (1989).

(4a) D. A. Drabold, Theory of nuclear spin relaxation of dilute spin systems, Ph.D. Dissertation, Washington University (St Louis), 1989.

(5)  D. A. Drabold, P. A. Fedders, O. F. Sankey and J. D. Dow, Convergence of force calculations in non-crystalline silicon, Phys. Rev. B 42 5345 (1990) .

(6)  O. F. Sankey, D. J. Niklewski, D. A. Drabold and J. D. Dow, Molecular dynamics determination of electronic and vibrational spectra and equilibrium structures of small Si clusters, Phys. Rev. B 41 12750 (1990).

(7)  D. A. Drabold, P. A. Fedders, O. F. Sankey and J. D. Dow, Molecular dynamics simulations of a-Si, Phys. Rev. B 42 5135 (1990) .

(7a) D. A. Drabold, S. Klemm, and O. F. Sankey, Ab initio molecular dynamics of column IV microclusters, MRS Proceedings 193 177 (1990).

(8)  D. A. Drabold, O. F. Sankey, R. Wang and S. Klemm, Efficient ab initio molecular dynamics simulations of carbon , Phys. Rev. B 43 5132 (1991).

(9)  D. A. Drabold and G. L. Jones, Maximum-entropy approach to series extrapolation and analytic continuation, J. Phys. A: Math. Gen 24  4705 (1991).

(10) D. A. Drabold and G. L. Jones, Maximum-entropy in condensed matter theory [maxent90 proceedings, Kluwer, 1991], 

(11) D. A. Drabold, P. A. Fedders, S. Klemm, O. F. Sankey, The finite temperature properties of amorphous silicon,Phys. Rev. Lett. 67 2179 (1991).

(11a) Otto F. Sankey, Gary B. Adams, Xudong Weng, John D. Dow, Yin-Min Huang, J.C.H. Spence, D.A. Drabold, Wei-Min Hu, R-P. Wang, Stefan Klemm, Peter A. Fedders, First-principles electronic structure calculations with molecular dynamics made easy,Superlatt. and Microstructures 10 407 (1991).

(12) P. A. Fedders, Y. Fu, D. A. Drabold, The Atomistic origins of light induced defects in amorphous Si, Phys. Rev. Lett. 68 1888 (1992).

(13) P. A. Fedders, D. A. Drabold and S. Klemm, Defects, tight binding and first principles molecular dynamics simulations of a-Si, Phys. Rev. B 45 4048 (1992). 

(14) R. B. Phillips, D. A. Drabold, T. Lenosky, G. B. Adams, O. F. Sankey, Electronic Structure of Schwartzite,Phys. Rev. B (Rapid) 46 1941 (1993).

(15) G. B. Adams, O. F. Sankey, M. O’Keefe, J. B. Page and D. A. Drabold, Energetics of large fullerenes: balls, tubes and capsules, Science 256 1792 (1992).

(16)D. A. Drabold, O. F. Sankey, Maximum-entropy approach for linear scaling in the electronic structure problem, Phys. Rev. Lett. 70 3631 (1993).

(17) K. Kilian, D. A. Drabold and J. B. Adams, First principles simulations of a-Si and  a-Si:H surfaces, Phys. Rev. B 48 17393 (1993).

(17a) S. H. Yang, D. A. Drabold, J. B. Adams and A. Sachdev, First principles local orbital density functional study of aluminum clusters, Phys. Rev. B 47 1567 (1993).

(18) S. H. Yang, D. A. Drabold and J. B. Adams, Ab initio study of clean and hydrogenated diamond (100) surface, Phys. Rev. B 48 5261 (1993).

(19) P. A. Fedders and D. A. Drabold, Hydrogen and defects in first principles MD generated a-Si:H, Phys. Rev. B 47 13277 (1993).

(20) P. Ordejon, D. A. Drabold, M. Grumbach, R. M. Martin, Unconstrained minimization approach for electronic computations which scales linearly with system size, Phys. Rev. B 48 14646 (1993).

(21) D. A. Drabold, P. A. Fedders, P. Stumm, Structure, dynamics and electronic properties of diamond like amorphous carbon—Comment , Phys. Rev. Lett. 72 2666 (1994) .

(22)D. A. Drabold, P. Stumm, P. A. Fedders, Theory of diamond-like amorphous carbon, Phys. Rev. B 49 16415 (1994).

(23) O. F. Sankey, D. A. Drabold, A. Gibson, Projected random vectors and the recursion method in the electronic structure problem, Phys. Rev. B 50 1376 (1994).

(24) A. Caro, D. A. Drabold and O. F. Sankey, Evidence of lattice instability of the Al-Si solid solution: dynamical properties of the Si substitutional and Al vacancy, Phys. Rev. B 49 6647 (1994).

(25) D. R. Alfonso, S. Yang and D. A. Drabold, Ab initio studies of hydrocarbon absorption on stepped diamond surfaces, Phys. Rev. B 50 15369 (1994).

(26) D. R. Alfonso, D. A. Drabold and S. E. Ulloa, Phonon modes of diamond (100) surfaces from ab initio calculations, Phys. Rev. B 51 1989 (1995).

(27) P. Ordejon, D. A. Drabold, R, M. Martin, M. Grumbach, Linear system size scaling methods for electronic structure calculations, Phys. Rev. B 51 1456 (1995).

(28) P.Ordejon, D. A. Drabold, R. M. Martin, Linear Scaling Method for phonon calculations from electronic structure, Phys. Rev. Lett. 75 1324 (1995)

(29) P. Stumm and D. A. Drabold, Structural and electronic properties of nitrogen doped fourfold amorphous carbon, Solid State Comm. 93  617 (1995).

(30)D. A. Drabold, P. Ordejon, J. Dong and R. M. Martin, Spectral properties of large fullerenes: from cluster to crystal , Solid State Comm. 96 833 (1995).

(31) J. Wang, D. A. Drabold, A. Rockett, Binding and diffusion of a Si adatom around type A steps on Si(001) c(4×2), App. Phys. Lett. 66 1954 (1995).

(32) J. Wang, D. A. Drabold and A. Rockett, Binding and diffusion of a Si adatom around type B steps on Si(001) c(4×2), Surf. Science 344 251 (1995).

(33) R. L. Cappelletti, M. Cobb, D. A. Drabold, W. A.Kamitakahara, A neutron scattering and ab initio molecular dynamics study of vibrations in glassy GeSe2, Phys. Rev. B 52 9133 (1995). 

(34) D. R. Alfonso, D. A. Drabold, S. E. Ulloa, Structural, electronic and vibrational properties of diamond (100), (110) and (111) surfaces from ab initio calculations, Phys. Rev. B 51 14669 (1995).

(35)  J. Dong and D. A. Drabold, Band tail states and the localized to extended transition in amorphous diamond, Phys. Rev. B 54 10284 (1996).

(36) M. Cobb, D. A. Drabold and R. L. Cappelletti, Ab initio study of the structure, dynamics and electronic states of g-GeSe2, Phys. Rev. B 54 12162 (1996).

(37) D. A. Drabold, P. A. Fedders and M. P.  Grumbach Gap formation and defect states in tetrahedral amorphous carbon, Phys Rev B 54 5480-5484 (1996) 

(38) S. Itoh, P. Ordejon, D. A. Drabold and R. M. Martin, Structure and energetics of giant fullerenes: an order N molecular dynamics study, Phys. Rev. B 53 2132 (1996).

(39) S. Itoh, P. Ordejon, D. A. Drabold and R. M. Martin, Order-N tight binding molecular dynamics: application to giant fullerenes, Sci. Rep. RITU A41  163 (1996).

(40)P. A. Fedders and D. A. Drabold, Molecular dynamics investigation of conformational fluctuations and low energy vibrational excitations in a-Si:H, Phys. Rev. B 53 3841 (1996) .

(41) J. Song, S. E. Ulloa and D. A. Drabold, Exciton-induced lattice relaxation and the electronic and vibrational spectra of Si clusters, Phys. Rev. B 53 8042 (1996) .

(42)D. R. Alfonso, D. A. Drabold and S. E. Ulloa, Structure of diamond (100) stepped surfaces from ab initio calculations, J. Phys. Cond. Matt. 8  641 (1996).

(43) D. R. Alfonso, C. Noguez, D. A. Drabold and S. E. Ulloa, First Principles studies of hydrogenated Si(111) 7×7, Phys. Rev. B 54 8028 (1996).

(44) D. A. Drabold, Electronic Structure Methods with applications to amorphous semiconductors in Amorphous Insulators and Semiconductors, M. F. Thorpe and M. I Mitkova Eds, NATO Advanced Study Institute Series, Kluwer, Dordrecht, 1997.

(45) H. Roder, R. N. Silver, Jian Jun Dong and D. A. Drabold, The Kernel Polynomial Method for a non orthogonal electronic structure calculation of amorphous diamond, Phys. Rev. B 55 15382 (1997).

(46) S. H. Yang, D. A. Drabold, J. B. Adams, P. Ordejon, K. Glassford, Density functional study of small platinum clusters, J. Phys. Cond. Matt. 9 L39 (1997).

(47) P. Stumm and D. A. Drabold, Can Amorphous GaN serve as a useful electronic material?, Phys. Rev. Lett. 79 677 (1997).

(48)C. Cobb and D. A. Drabold, Ab initio study of liquid GeSe2, Phys. Rev. B 56 3054 (1997)

(49) P. Stumm, D. A. Drabold, P. A. Fedders, Defects, doping and conduction mechanisms in nitrogen doped tetrahedral amorphous carbon, J. App. Phys. 81  1289 (1997).

(50) P. A. Fedders and D. A. Drabold,  Theory of boron doping in a-Si:H, Phys. Rev. B 56 1864 (1997) .

(51) J. Dong and D. A. Drabold, Atomistic structure of band tail states in amorphous silicon, Phys. Rev. Lett. 80 1928 (1998).

(52)U. Stephan and D. A. Drabold, Order N projection method for first principles calculation of electronic quantities and Wannier functions, Phys. Rev. B 57 6391 (1998).

(53) J. Dong and D. A. Drabold, Ring formation and the structural and electronic properties of tetrahedral amorphous carbon surfaces, Phys. Rev. B 57 15591 (1998).

(54)X. Zhang and D. A. Drabold, Evidence for valence alternation and a new model of amorphous Se, J. Non. Cryst. Sol. 241 195 (1998).

(55) U. Stephan, D. A. Drabold and R. M. Martin, Improved accuracy and acceleration of variational order N electronic structure computations by projection techniques, Phys. Rev. B 58 13472 (1998).

(56) S. Nakhmanson and D. A. Drabold, Approximate ab initio calculation of vibrational properties of hydrogenated amorphous silicon with inner voids, Phys. Rev. B 58 15325 (1998).

(57) P. A. Fedders, D. A. Drabold and S. Nakhmanson, Theoretical study of band tail states in amorphous Si, Phys. Rev. B 58 15624 (1998).

(58) D. A. Drabold and P. A. Fedders,  The electronic consequences of the mutual presence of structural and thermal disorder,  Phys. Rev. B Rapid. 60 R721 (1999)

(59) P. A. Fedders, D. A. Drabold, P. Ordejon, G. Fabricius, E. Artacho, D. Sanchez-Portal and J. Soler, The application of the Local spin density approximation to amorphous Si and tetrahedral amorphous carbon, Phys. Rev. B 60 10594 (1999).

(60) D. A. Drabold, U. Stephan, J. Dong and S. Nakhmanson, Electronic structure of amorphous silicon, J. Molecular Graphics and Modeling 17  285-291 (2000).

(61) M. Yu, S. E. Ulloa and D. A. Drabold, Local basis quasiparticle calculations and the dielectric response function of Si clusters, Phys. Rev. B 61 2626 (2000).

(62)G. Fabricius, E. Artacho, D. Sanchez-Portal, P. Ordejon, D. A. Drabold and J. M. Soler, Atomic layering at the liquid Si surface: a first principles simulation,  Phys. Rev. B 60 R16283 (1999).

(63) X. Zhang and D. A. Drabold, Direct molecular dynamic simulation of light induced structural changes in amorphous selenium, Phys. Rev. Lett. 83 5042 (1999)

(64)D. A. Drabold, Molecular Dynamic simulations of network glasses in “ Insulating and semiconducting glasses [sans figures, due to antiquity], P. Boolchand, Editor. World Scientific Press, Singapore (2000), pp. 607-652.

(65) U. Stephan, R. M. Martin and D. A. Drabold,  Extended range computation of Wannier functions in amorphous semiconductors,  Phys. Rev. B 62 6885 (2000).

(66) D. A. Drabold, Anderson transition and thermal effects on electron states in amorphous Si, J. Non. Cryst. Sol.  266, 211 (2000 ).

(67) S. Nakhmanson and D. A. Drabold, Computer Simulation of low energy excitations from voids in amorphous Si, J. Non. Cryst. Sol. 266  156 (2000).

(68) S. Nakhmanson and D. A. Drabold, Low-temperature anomalous specific heat without tunneling modes: a simulation for a-Si with voids, Phys. Rev. B 61 5376 (2000).

(69) N. Mousseau and D. A. Drabold, Numerical studies of the vibrational isocoordinate rule in chalcogenide glass,  European Physical Journal B 17  667-671 (2000).

(70) Jun Li and D. A. Drabold, First principles study of glassy arsenic triselenide, Phys. Rev. B 61 11998 (2000).

(71) D. A. Drabold, S. Nakhmanson and X. Zhang, Electronic structure of amorphous insulators and photo structural effects in chalcogenide glasses, Properties and Applications of Amorphous Materials, M. F. Thorpe and L. Tichy, Eds., NATO Science Series, II. Mathematics, Physics and Chemistry, Vol 9 pp. 221-250 Kluwer (2001)

(72) H. Chen, K. Chen, D. A. Drabold and M. E. Kordesch, Bandgap engineering in amorphous AlGaN alloys: Experiments and ab initio calculations, App. Phys. Lett. 77 1117-1119 (2000).

(73) X. Zhang and D. A. Drabold, Structural and electronic properties of glassy GeSe2 surfaces, Phys. Rev. B 62 15695 (2000).

(74)M. Durandurdu, D. A. Drabold and N. Mousseau, Approximate ab initio calculations of el ectronic structure of amorphous Si, Phys. Rev. B 62 15307 (2000).

(75) Jun Li and D. A. Drabold, Direct calculation of light induced structural change and diffusive motion in glassy As2Se3, Phys. Rev. Lett . 85 2785 (2000).

(76)X. Zhang and D. A. Drabold, Simulation of the response of amorphous Se to light, Intl. J. Modern Phys. B 15 3190 (2001).

(77) S. M. Nakhmanson, N. Mousseau, G. T. Barkema, P. M. Voyles, D. A. Drabold, Low strain models of paracrystalline silicon, Intl. J. Mod. Phys. B 15 3253 (2001).

(78)M. Durandurdu and D. A. Drabold, Ab initio simulation of first-order amorphous to amorphous phase transition in silicon,  Phys. Rev. B 64 014101 (2001) .

(79) X. Zhang and D. A. Drabold, Properties of the density matrix from realistic calculations, Phys. Rev. B 63 233109 (2001).

(80) A. Demkov, X. Zhang and D. A. Drabold, First principles simulation and current-voltage characteristic of atomistic metal-oxide-semiconductor structures, Phys. Rev. B 64 125306 (2001).

(81) P. M. Voyles, N. Zotov, S. M. Nakhmanson, D. A. Drabold, J. M. Gibson, M. M. J. Treacy, and P. Keblinski, The Structure and Physical Properties of Paracrystalline Atomistic Models of Amorphous Silicon, J. Applied Physics 90 , 4437 (2001).

(82) S. Nakhmanson, P. Voyles, N. Mousseau, G. Barkema and D. A. Drabold, Realistic models of paracrystalline Si, Phys. Rev. B 63 235207 (2001).

(83) Jun Li and D. A. Drabold, Atomistic comparison between stoichiometric and non-stoichiometric glasses: the cases of As2Se3 and As4Se4, Phys. Rev. B 64 104206 (2001).

(84)G. Chen, H. Jain, S. Khalid, Jun Li,  D. A. Drabold and S. R. Elliott, Study of structural changes in Amorphous As2Se3 by EXAFS under in-situ laser irradiation, Solid State Communications 120  149 (2001).

(85) M. Yu, C. Jayanthi, D. A. Drabold, and S. Y. Wu, Strain relaxation mechanisms and local structural changes in SiGe alloys,  Phys. Rev. B 64 165205 (2001) .

(86)Jun Li, D. A. Drabold, S. Krishnaswami, G. Chen and H. Jain, Electronic structure of glassy chalcogenides As2Se3 and AsSe: a joint theoretical and experimental study, Phys. Rev. Lett 88 046803 (2002).

(87) M. Durandurdu and D. A. Drabold, Simulation of pressure-induced polyamorphism in a chalcogenide glass  GeSe2, Phys. Rev. B 65 104208 (2002).

(88) S. Nakhmanson, N. Mousseau and D. A. Drabold,  Comment on Boson peak in amorphous silicon: A numerical study,  Phys. Rev. B 66 087201 (2002).

(89) S. N. Taraskin, D. A. Drabold and S. R. Elliott, Spatial decay of the single-particle density matrix in insulators: analytic results in two and three dimensions,  Phys. Rev. Lett. 88 196405 (2002).

(90)S. D. Mahanti and D. A. Drabold, Defects in amorphous semiconductors , in Survey of Semiconductor Physics: Electrons and other particles in semiconductors, Vol I , K. Boer editor, pp 867-878 Wiley (2002); K. Kreher and D. A. Drabold, Optical absorption  of disordered lattices,  ibid . 845-854

(91) K. Chen and D. A. Drabold, First principles molecular dynamics study of amorphous AlxGa1-x N alloys, J. App. Phys. 91  9743 (2002).

(92) M. Durandurdu and D. A. Drabold, Ab initio simulation of high pressure phases of GaAs, Phys. Rev. B 66 045209 (2002).

(93) Murat Durandurdu and D. A. Drabold, First order pressure-induced polyamorphism in germanium, Phys. Rev. B 66 041201R (2002)

(94) Jun Li and D. A. Drabold, Atomistic simulation of the finite-temperature Anderson localization problem, Phys. Stat. Sol. 233 10 (2002) .

(95) D. A. Drabold and Jun Li, Electrons and Phonons in amorphous silicon: deformation potentials and solutions of the time-dependent Schrodinger equation, MRS Conference Proceedings,  715  A14.1 (2002).

(96) M. Durandurdu and D. A. Drabold, Ab initio simulation of pressure-induced low-energy excitations in amorphous silicon,  Phys. Rev. B 66 155205 (2002)

(97) G. Chen, H. Jain, M Vlcek, S Khalid, DA Drabold and SR Elliott, Atomistic observation of light-induced vector and scalar effects in a chalcogenide glass , National Synchrotron Light Source Scientific Highlight, NSLS Activity Report (2002).

(98)S. N. Taraskin, P. A. Fry, D. A. Drabold and S. R. Elliott, Spatial decay of the single-particle density matrix in metals: analytic results in two dimensionsPhys. Rev. B 66  233101 (2002).

(99)M. Durandurdu and D. A. Drabold, Pressure-induced structural phase transition of paracrystalline silicon, Phys Rev B 66 205204 (2002).

(100) D. A. Drabold, Jun Li and De Nyago Tafen, Simulations of AsSe Glasses, J. Phys. Cond. Matt. 15 S1529 (2003).

(101) D. A. Drabold, Approximate ab initio Simulations of amorphous silicon and glassy chalcogenides,  Current Opinion in Solid State and Materials Science 5 509 (2002).

(102) G. Chen, H. Jain, M. Vlcek, S. Khalid, J. Li, D. A. Drabold and S. R. Elliott, Observation of light polarization-dependent structural changes in chalcogenide glasses,  App. Phys. Lett. 82 706 (2003).

(103) S. Blaineau, P. Jund and D. A. Drabold, Physical properties of GeS 2 glass using approximate ab initio molecular dynamics,  Phys Rev B 67 094204 (2002).

(104)M. Yu, C. S. Jayanthi, D. A. Drabold and S.-Y. Wu,  Enhanced Radiative Transition in Si-Ge nanoclusters, Phys. Rev. B 68 035404 (2003).

(105)M. Durandurdu and D. A. Drabold, A theoretical investigation of amorphization and crystallization in silicon phases, Phys. Rev. B 67 212101 (2003)

(106) Jun Li and D. A. Drabold, A portrait of hopping between localized states: a density functional simulation of the finite-temperature Anderson problem, Phys. Rev B 68 033103 (2003).

(107)K. Antoine, J. Li, D. A. Drabold and H. Jain, Photoinduced changes in the electronic structure of As2Se3 glass, J. Non-Cryst. Sol. 326 : 248-256 (2003).

(108)G. Chen, H. Jain, M. Vlcek and D. A. Drabold, Study of light-induced vector changes in the local atomic structure of As-Se glasses by EXAFS, J. Non-Cryst. Sol.   326 : 257-262 (2003)

(109)D. A. Drabold, Xiaodong Zhang and Jun Li, in A. Kolobov, Ed .Photo-induced metastability in amorphous semiconductors, Wiley-VCH, Berlin, pp 260-276 (2003).

(110)D. Tafen and D. A. Drabold, Models of Binary glasses from Models of Tetrahedral Amorphous Semiconductors, Phys. Rev. B 68 165208 (2003).

(111) R. Atta-Fynn, P. Biswas, P. Ordejon and D. A. Drabold, Systematic study of electron localization in an amorphous semiconductor, Phys Rev B 69 085207 (2004).

(112)P. Biswas, R. Atta-Fynn and D. A. Drabold, Realistic modeling of amorphous silicon from reverse monte carlo approach, Phys. Rev. B 69 195207 (2004).

(113) R. Atta-Fynn, P. Biswas and D. A. Drabold, The electron-phonon coupling is large for localized states, Phys. Rev. B 69 245204 (2004).

(114)J. J. Ludlam, S. N. Taraskin, S. R. Elliott and D. A. Drabold, Universal features of eigenstates in disordered systems, J. Phys. Cond. Matter 17 L321 (2005).

(115)D. Tafen and D. A. Drabold, New Models of Binary IV-VI Glasses, Phys. Rev. B 71 054206 (2005).

(116) P. Biswas, D. Tafen and D. A. Drabold, Experimentally Constrained Molecular Relaxation: The Case of GeSe2, Phys Rev B 71 054204 (2005).

(117) D. A. Drabold, P. Biswas, D. Tafen and R. Atta-Fynn, Recent developments in computer modeling of amorphous materials (in Nanocrystalline Materials for optoelectronics, M. Popescu, Ed, INOE, Bucharest, 2004).

(118) P. Biswas, D. N. Tafen, R. Atta-Fynn and D. A. Drabold, Inclusion of experimental information in first principles modeling of materials, J. Phys. Cond. Matter 16 S5173 (2004).

(119) T. Abtew, P. Ordejon and D. A. Drabold, Thermally driven hopping and electron transport in amorphous materials from density functional calculations, J. Phys. Cond. Matter 16 S5289 (2004).

(120)D. N. Tafen, D. A. Drabold and M. Mitkova,  Silver transport in Ge x Se 1−x :Ag materials: ab initio simulation of a solid electrolyte, Phys. Rev. B 72 054206 (2005).

(121)K.Bandyopadhyay, A.K.Bhattacharya, Parthapratim Biswas, D.A.Drabold   Maximum Entropy and the Problem of Moments: a Stable Algorithm, Phys Rev E 71 057701 (2005).

(122) T. Abtew, D. A. Drabold and P. C. Taylor, Studies of SiH2 and its potential role in light-induced metastability in a-Si:H, Applied Physics Letters 86 241916 (2005).

(123)K. Antoine, H. Jain, D. A. Drabold. J. Li, M. Vlcek and A. C. Miller, Photoinduced changes in the electronic structure of As4 Se3 glass, J. Non-Cryst. Sol. 349 162 (2004).

(124)D. N. Tafen, D. A. Drabold and M. Mitkova, Direct ab initio simulation of silver ion dynamics in chalcogenide glasses, Phys. Stat. Sol. B 242 R55 (2005)

(125)D. A. Drabold, Review of Advances in Amorphous Semiconductors by Singh and Shimakawa, MRS Bulletin 30 616 (Aug 2005).

(126)T. Abtew and D. A. Drabold, Simulation of light-induced changes in hydrogenated amorphous silicon, J. Phys Cond. Matt. 18 L1 (2006).

(127) T. Abtew and D. A. Drabold, Direct ab initio simulation of light-induced structural changes in hydrogenated amorphous silicon, Phys. Rev. B 74 085201 (2006).

(128)D. A. Drabold and S. K. Estreicher: Defect theory, an armchair history, in Theory of Defects in Semiconductors, Edited by D. A. Drabold and S. K. Estreicher, Springer-Verlag (2006).

(129) D. A. Drabold and T. A. Abtew: Defects in amorphous semiconductors: amorphous silicon, Edited by D. A. Drabold and S. K. Estreicher, Springer-Verlag (2006).

(130) D. A. Drabold and S. K. Estreicher, Theory of Defects in Semiconductors, Edited by D. A. Drabold and S. K. Estreicher,  Topics in Applied Physics 104 , Springer (2006).

(131)T. A. Abtew and D. A. Drabold, First principles molecular dynamics study of amorphous SiGe alloys , Phys. Rev. B 75 045201 (2007) 

(132)T. A. Abtew and D. A. Drabold, Light-induced structural changes in hydrogenated amorphous silicon,  J. Optoelectron. Adv. Mater. 8 1979 (2006).

(133)T. A. Abtew, F. Inam and D. A. Drabold, Thermally stimulated H diffusion and emission in hydrogenated amorphous silicon, Europhys. Lett. 79 36001 (2007).

(134)P. Biswas, R. Atta-Fynn and D. A. Drabold, Experimentally constrained molecular relaxaxation: the case of a-Si,  Phys. Rev. B 76 125210 (2007).

(135)T. A. Abtew, M. Zhang and D. A. Drabold, Ab initio estimate of the temperature dependence of electrical conductivity in a model disordered material: a-Si:H, Phys. Rev. B 76 045212 (2007)

(136)P. Biswas, R. Atta-Fynn, S. Chakraborty and D. A. Drabold, Real space information from fluctuation electron microscopy: application to amorphous silicon, J. Phys. Cond. Matt. 19 455202 (2007)

(137)F. Inam, D. A. Drabold, M. Shatnawi, D. Tafen, P. Chen and S. Billinge, Intermediate phase in GeSe glasses: experiment and simulation,  J. Phys. Cond. Matt. 19 455206 (2007).

(138)D. A. Drabold, T. A. Abtew, F. Inam and Y. Pan, Network structure and dynamics of hydrogenated amorphous silicon, J. Non-Cryst. 354 2149 (2008).

(139)T. A. Abtew, M. Zhang, P. Yue and D. A. Drabold, On the origin of the Meyer-Neldel rule for the electrical conductivity in a-Si:H, J. Non-Cryst. Sol. 354 2909 (2008).

(140)F. Inam and D. A. Drabold, Theoretical study of an amorphous chalcogenide surface. J. Non-Cryst. Sol. 354 2495 (2008)

(141)Y. Pan, M. Zhang and D. A. Drabold, Topological and topological-electronic correlations in amorphous Si, J. Non. Cryst. Sol. 354 3480 (2008)

(142)J. R. Abelson, D. A. Drabold, S. R. Elliott, P. M. Voyles, Proceedings of the International Conference on Nanoscale Order in Amorphous and Partially Ordered Solids, Trinity College, Cambridge, UK, July 9-11, 2007.  J. Phys. Cond. Matt. 19 450301 (2007).

(143)P. Biswas and D. A. Drabold, Inverse approach to atomistic modeling: applications to amorphous silicon hydride and germanium diselenide,  J. Non. Cryst. Sol. 354 2697 (2008).

(144)Y. Pan, F. Inam, M. Zhang and D. A. Drabold, Atomistic origin of Urbach tails in amorphous silicon, Phys. Rev. Lett. 100 206403 (2008).

(145)S. Chakraborty, D. C. Bobela, P. C. Taylor and D. A. Drabold, Voids in a-Si:H: comparison of ab initio simulations and proton NMR, MRS Symp. Conf. Proc. 1066 A11-02 (2008).

(146)M. Zhang, Y. Pan, F. Inam and D. A. Drabold, A semi-quantitative scattering theory of amorphous materials, Phys. Rev B 78 195208 (2008).

(147)D. A. Drabold, Invited Colloquium Paper: Topics in the theory of amorphous materials, European Physical Journal B 68 1 (2009).

(148)F. Inam, G. Chen, D. N. Tafen and D. A. Drabold, Intermediate Phase in GeSe glasses, a joint experimental and theoretical study, in Rigidity and Boolchand Intermediate Phases in nanomaterials, INOE, Bucharest (2009).

(149)K. Antoine, H. Jain, M. Vlcek, S. D. Senanayake and D. A. Drabold, Chemical origin of polarization-dependent photoinduced changes in aresenic selenide glass film via in situ synchrotron X-Ray photoelectron spectroscopy, Phys. Rev. B 79 054204 (2009).

(150)P. Biswas, D. N. Tafen, F. Inam, B. Cai and D. A. Drabold, Materials modeling by design: application to amorphous solids, J. Phys. Cond. Matter 21 084207 (2009).

(151)F. Inam, G. Chen, D. N. Tafen and D. A. Drabold,  Competing stoichiometric phases and the intermediate phase in GeSe glasses, Phys Stat Sol B 246 1849 (2009).

(152)I. Chaudhuri, F. Inam and D. A. Drabold, Ab initio determination of ion traps and the dynamics of silver in silver-doped chalcogenide glass, Phys. Rev. B 79 100201(R) (2009).

(153)S. Chakraborty and D. A. Drabold, Static and dynamic properties of a-Si:H with voids, Phys. Rev. B 79 115214 (2009).

(154)D. A. Drabold, DISCUS: An olympian toolkit for structural modeling, Book review in Computing in Science and Engineering, May 2010 p7

(155)B. Cai and D. A. Drabold, Ab initio models of amorphous InN, Phys. Rev. B 79 195204 (2009).

(156)M. Zhang and D. A. Drabold, Electrical conductivity calculations: the role of degenerate and resonant electron states, Phys. Rev. B 81 085210 (2010).

(157)M. Zhang and D. A. Drabold, Phonon-driven transport in amorphous semiconductors: transition probabilities, Eur. Phys. J B 77 7 (2010).

(158)F. Inam, J. P. Lewis and D. A. Drabold, Hidden structure in amorphous solids, Phys. Stat. Sol. a 207 599 (2010).

(159)I. Santos, P. Castrillo, W. Windl, D. A. Drabold, L. Pelaz and L. A. Marques, Self Trapping in B-doped a-Si: an intrinsic origin of low acceptor efficiency, Phys. Rev. B 81 033203 (2010).

(160)V. Kapko, D. A. Drabold and M. F. Thorpe, Electronic structure of a realistic model of amorphous graphene, Phys. Stat. Sol. (b) 247 1197 (2010). 

(161)M. Cliffe, M. T. Dove, D. A. Drabold and A. L. Goodwin, Structure determination of disordered materials from diffraction data, Phys. Rev. Lett. 104 125501 (2010) . Viewpoint in Physics by Simon Billinge here.

(162)M. Zhang and D. A. Drabold, Alternative approach to computing transport coefficients: application to conductivity and Hall coefficient of hydrogenated amorphous silicon, Phys. Rev. Lett. 105 186602 (2010).

(163)M. Zhang and D. A. Drabold, Theory of charge carrier transport in systems with static and thermal disorder, Phys. Stat. Sol. B 248 2015 (2011).

(164)D. A. Drabold, Y. Li and B. Cai, Urbach tails of amorphous silicon, Phys. Rev. B 83 045201 (2011).

(165)B. Cai, D. A. Drabold and S. R. Elliott, Structural fingerprints of electronic and optical changes in the phase change material Ge2Sb2Te5, Applied Phys. Lett. 97 191908 (2010).

(166)B. Cai, A. L. Goodwin and D. A. Drabold, Novel structural modeling techniques for  amorphous materials, Modeling and Simulation in Materials Science and Engineering 19 035010 (2011).

(167)G. Chen, F. Inam and D. A. Drabold, Structural origin of the intermediate phase in Ge-Se glasses, App. Phys. Lett. 97 131901 (2010).

(168)M. Zhang and D. A. Drabold, Transport calculations in complex materials: a comparison of the Kubo formula, the Kubo-Greenwood formula and the microscopic response method, Phys Rev E 83 012103 (2011).

(169) B. Prasai and D. A. Drabold,   Ab initio simulation of solid electrolyte glasses, Phys Rev B 83 094202 (2011).

(170)B. Cai, X. Zhang and D. A. Drabold, Building Block Modeling Technique: Application to ternary chalcogenide glasses, Phys. Rev. B 83 092202 (2011).

(171)M. Zhang and D. A. Drabold, The work done by an external electromagnetic field, J. Phys. Cond. Matter 23 085801 (2011).

(172)F. Inam, J. P. Lewis and D. A. Drabold, Hidden Structure in Amorphous Solids, Phys. Stat. Sol. Best of 2010, p S69-S74 (Special re-issue of #158 above).

(173)B. Cai and D. A. Drabold, The properties of amorphous GaN from ab initio simulation, Phys. Rev. B 84 075216 (2011).

(174)B. Cai, B. Prasai and D. A. Drabold, Atomistic simulation of flash memory materials based on chalcogenide glasses, in: Flash Memory, INTECH, pp 241-262 (2011).

(175)Y. Li, F. Inam, A. Kumar, M. F. Thorpe and D. A. Drabold, Pentagonal puckering in a sheet of amorphous graphene, Phys. Stat. Sol. B 248 2082 (2011).

(176)Bin Cai and D. A. Drabold, Electronic activity of boron and phosphorous dopants in a-Si and a-Si:H,  MRS Proceedings, 1321, mrss11-1321-a10-01 doi:10.1557/opl.2011.1095

(177)J. P. Lewis, P. Jelínek, J. Ortega, A. A. Demkov, D. G. Trabada,B. Haycock, H. Wang, G. B. Adams, J. K. Tomfohr, E. Abad, H. Wang, and D. A. Drabold, Advances and applications of the FIREBALL ab initio tight binding method,  Phys. Stat. Sol. B 248 1989 (2011).

(178)B. Prasai, B. Cai, D. A. Drabold, M. K. Underwood and J. P. Lewis, Ab initio calculation of structural and electronic properties of amorphous TiO2, MS&T-11 Conf. Proceedings  (6/2011).

(179)M. Zeleny, J. Hegedus, A. S. Foster, D. A. Drabold, S. R. Elliott, R. M. Niemenen, Ab initio study of Cu diffusion in alpha cristobalite, New J. Phys. 14 113029 (2012).

(180)D. A. Drabold, A. Demkov, J. P. Lewis, J. Ortega, W. Windl and S. Lindsay, Dedication (Festschrift honoring O. F. Sankey), Phys. Stat. Sol. B 248 1987 (2011).

(181)D. A. Drabold, Expert Opinion: Silicon: The gulf between crystalline and amorphous, Phys. Stat. Solidi Rapid Research Letters 5 359 (2011).

(182)M. Zhang and D. A. Drabold, Temperature coefficient of resistivity in amorphous semiconductors, EPL 98 17005 (2012).

(183)M. Zhang and D. A. Drabold, Approximate theory of temperature coefficient of resistivity and conductivity for amorphous semiconductors, Phys. Rev. B 85 125135 (2012)

(184)B. Prasai, K. Underwood, B. Cai, J. P. Lewis and D. A. Drabold, First principles studies of amorphous TiO2,J. Materials Science 47 7515 (2012).

(185)M. Zhang and D. A. Drabold, Radiation fields for nanoscale systems, Phys. Stat. Sol. B 250 1052 (2013).

(186)Y. Li and D. A. Drabold, Symmetry Breaking and low energy conformational fluctuations in amorphous graphene, Phys. Stat. Sol. B 250 1012 (2013).

(187)B. Prasai, G. Chen and D. A. Drabold, Direct ab initio molecular dynamic study of  ultrafast phase change in Ag-alloyed Ge2Sb2Te5, APL 102 041907 (2013)

(188)G. Pfanner, C. Freysoldt, C. Neugebauer, F. Inam, D. A. Drabold, K. Jarolimek, and M.  Zeman, Dangling-bond defect in a-Si:H: Characterization of network and strain effects by first-principles calculation of the EPR parameters, Phys. Rev. B 87 125308 (2013).

(189 D. A. Drabold and E. A. Davis, Honoring S. R. Elliott, Phys. Stat. Sol. B 250 923 (2013).

(190) B. Prasai, M. E. Kordesch, D. A. Drabold and G. Chen, Atomistic origin of rapid crystallization of Ag-doped GeSbTe alloys: a joint experimental and theoretical study, Phys. Stat. Sol. B 250 1785 (2013).

(191) B. J. Haycock, F. Lander, M. Rice, B. Prasai, K. Prasai, D. A. Drabold and J. P. Lewis, High throughput evaluation of potential of N doping of amorphous TiO2: a cheaper photocatalyst, Phys. Stat. Sol B 251 1225 (2014).

(192) A. R. Barik, M. Bapna, D. A. Drabold and K. V. Adarsh, Ultrafast light induced unusually broad transient absorption in the sub-bandgap region of GeSe2 thin film, Scientific Reports 4 3686 (2014).

(193) Y. Li and D. A. Drabold, Electronic signatures of Topological Disorder in Amorphous Graphene,  Institution of Engineering and Technology, circuits, devices and systems, IET Circuits, Devices and Systems 9 13 (2015).

(194) Y. Li and D. A. Drabold, Effects of disorder on sp2 bonded carbon, Handbook of Graphene Science, CRC Press (published May, 2016)

(195) A. Pandey, N. Podraza and D. A. Drabold, Electrical activity of boron and phosphorous in hydrogenated amorphous silicon, Phys. Rev. Applied 2 054005 (2014).

(196) K. Prasai and D. A. Drabold, Simulations of silver-doped germanium selenide glasses and their response to radiation, Nanoscale Research Letters 9 594 (2014).

(197) R. Sharma, K. Prasai, A. R. Barik, D. A. Drabold and K. V. Adarsh, Ultrafast defect dynamics: a new approach for all optical switching employing amorphous Se, AIP Advances, July 2015.

(198)P. Biswas, R. Atta-Fynn and D. A. Drabold. Microstructure from joint analysis of experimental data and ab initio interactions: hydrogenated amorphous silicon, J. App. Phys. 116 244305 (2014).

(199)P. Biswas and D. A. Drabold, Correlations between higher-order rings and microvoids in hydrogenated amorphous silicon, MRS Fall 2014 Conf. Proceedings. 

(200) K. Prasai, P. Biswas and D. A. Drabold, Sculpting the band gap, a computational approach,  Scientific Reports, 5 15522 (2015).

(201) A. Pandey, P. Biswas and D. A. Drabold, Force enhanced atomic refinement: application to amorphous silica and amorphous silicon, Phys. Rev. B 92 155205 (2015).

(202) B. Prasai and D. A. Drabold Transition metals in Phase Change Memory Materials: Impact upon Crystallization, in Molecular Dynamics Simulations of Disordered Materials, Edited by Carlo Massobrio et al., Springer Series in Materials Science Vol 215, p 511 (2015).

(203) B. Bhattarai and D. A. Drabold, Vibrations in amorphous silica, J. Non. Cryst. Sol. 439 6 (2016).

(204) K. Prasai, P. Biswas and D. A. Drabold,Electronically designed amorphous carbon and silicon, Phys. Stat. Sol. A 213 1653 (2016).

(205) K. Prasai, P. Biswas and D. A. Drabold.Electrons and Phonons in Amorphous Semiconductors, invited Topical Review in: Semicon. Sci. Tech. 31 073002 (2016).

(206) A. Pandey, P. Biswas and D. A. Drabold,  Inversion of diffraction data for amorphous materials,  Scientific Reports, 6 33731 (2016).

(207) A. Pandey, H. Scherich and D. A. Drabold, Models of Amorphous ZnO, J. Non. Cryst. Sol. 455 98 (2017).

(208) D. A. Drabold, Computational design of amorphous materials, European Phase Change and Ovonics Symposium Proceedings, Trinity College, Cambridge Sep. 2016.

(209) P. Biswas, D. Paudel, R. Atta-Fynn, D. A. Drabold and S. R. Elliott, Morphology of microvoids in hydrogenated amorphous silicon: an ab initio study, Phys Rev Applied 7 024013 (2017).

(210) A. Pandey, P. Biswas and D. A. Drabold, Realistic inversion of diffraction data for an amorphous  solid: the case of silicon, Phys. Rev B 94 235208 (2016).

(211) B. Bhattarai, A. Pandey and D. A. Drabold, Amorphous carbon at low densities: an ab initio study, Carbon 115, 532 (2017).

(212) R. Atta-Fynn, D. A. Drabold, S. R. Elliott and P. Biswas, First-principles simulations of vibrational decay and lifetimes in a-Si:H and a-Si:D, Phys Rev B 95 104205 (2017).

(213) K. Prasai, G. Chen and D. A. Drabold, Amorphous to amorphous insulator-metal transition in GeSe:Ag glasses, Phys. Rev. Materials 1 015603 (2017)

(214) M. Sajadi, B. Bhattarai, D. A. Drabold, M. F. Thorpe and M. Wilson, Refining Glass Structure,  Phys Rev B 96 201405(R) (2017).

(215) D. K. Limbu, R. Atta-Fynn, D. A. Drabold, S. R. Elliott and P. Biswas, Structural properties of transition metal clusters via force-biased Monte Carlo and ab initio calculations: a comparative study, Phys Rev B 96 174208 (2017).

(216) B. Bhattarai, A. Pandey and D. A. Drabold, Evolution of amorphous carbon across densities, an inferential study, Carbon 131 168 (2018).

(217) D. Igram, B. Bhattarai, P. Biswas and D. A. Drabold,Large and realistic models of amorphous silicon,  J. Non-Cryst. Sol 492 27 (2018).

(218) K. Prasai, P. Biswas, K. Subedi, K, Ferris and D. A. Drabold, Spatial projection of electronic conductivity, the example of conducting bridge computer memory,  PSS Rapid Research Letters, https://doi.org/10.1002/pssr.201800238

(219) B. Bhattarai, P. Biswas, R. Atta-Fynn and D. A. Drabold, Amorphous graphene: a constituent part of low density amorphous carbon,  Phys. Chem. Chem. Phys. 20 19546 (2018).

(220) D. Paudel, R. Atta-Fynn, D. A. Drabold, S. R. Elliott and P. Biswas, Small angle x-ray scattering in amorphous silicon, a computational approach, Phys. Rev. B 97 184202 (2018).

(221) D. Paudel, R. Atta-Fynn, D. A. Drabold and P. Biswas, Effect of low temperature annealing on void related microstructure a computational study, J. Phys. Conf. Series 1252 012005 (2019).

(222) D. K. Limbu,  M. U. Madeuke, R. Atta-Fynn, D. A. Drabold and P. Biswas, Ab initio density functional studies of 13-atom Cu and Ag clusters, J. Phys. Conf. Series 1252 012009 (2019).

(223) D. K. Limbu, R. Atta-Fynn, D. A. Drabold, S. R. Elliott and P. Biswas, Atomistic modeling of disordered solids: an information-driven inverse approach,  Phys. Rev. Materials 2 115602 (2018).

(224) R. Atta-Fynn, D. A. Drabold, P. Biswas, First principles modeling of the structural, electronic and vibrational properties of Pd(40)Ni(40)P(20) bulk metallic glasses, JNCS-X  1 100004 (2019).

(225) D. Igram, H. Castillo and D. A. Drabold, Structure and dynamics of an Ag-doped chalcogenide glass, an ab initio study,  J. Non-Cryst. Sol. 514 1 (2019)..

(226) K. Subedi, K. Prasai and D. A. Drabold, Theory of electronic conduction in conducting bridge memory materials in Amorphous Chalcogenides, Ed. by K. Shimakawa and A. Kolobov, World Scientific Press, Materials And Energy, Vol 15, pp 79-106, (2021).

(227) Noam Bernstein, Bishal Bhattarai, Gábor Csányi, David A. Drabold, Stephen R. Elliott, Volker L. Deringer, Quantifying Chemical Structure and Atomic Energies in Amorphous Silicon Networks, Angewandte Chemie (published online 3/5/19).

(228) M. Leiter, B. E. Steiner and D. A. Drabold, “Son of Amey”: an index annotation identifies the mother of Captain Abraham Tourtellott of Rhode Island and Maine. American Genealogist 91, 91 (2020).

(229) K. Prasai et al. High precision detection of change in intermediate range order of amorphous zirconia-doped tantala thin films due to annealing, Phys. Rev. Lett. 123 045501 (2019).

(230) B. Bhattarai, R. Thapa and D. A. Drabold, Ab initio inversion of structure and the lattice dynamics of a metallic glass: the case of Pd40Ni40P20, Modeling and Simulation in Materials Science and Engineering 27 075002 (2019).

(231)  K. Subedi, K. Prasai, M. N. Kozicki, and D. A. Drabold, Structural origins of electronic conduction in amorphous copper-doped alumina,  Phys. Rev. Materials 3 065605 (2019).

(232) V. Deringer, N. Bernstein, G. Csanyi, M. Wilson, D. A. Drabold and S. R. Elliott, Structural transitions in dense disordered silicon from quantum-accurate ultra-large-scale simulations, Nature 589 59 (2021), paper here, Commentary by Paul McMillan (2021).

(233) Y. Alajerami, K. Cimatu, G. Chen and D. A. Drabold, Radiation shielding properties of Bismuth Borate glasses doped with Cadmium Oxide, Ceramics International 46 12718 (2020)

(234) Yasser Alajerami, David Drabold, Mohamed Mhareb, Katherine Lesslee, Gang Chen, and Kashi Subedi, Physical, Structural and Shielding properties of Cadmium Bismuth Borate-Based glasses,  J. App. Physics 127 175102 (2020).

(235) R. Thapa, B. Bhattarai, M. N. Kozicki, K. N. Subedi and D. A. Drabold, Structure and charge transport of amorphous Cu-doped tantalum pentoxide: an ab initio study,  Phys. Rev. Materials 4 064603 (2020).

(236) D. A. Drabold, The ancestry of Leona Mae Harris (Google Books, 2020), pdf here.

(237). R. Thapa, B. Bhattarai. K. Subedi and D. A. Drabold, Force Enhanced Atomic Refinement modeing of the metallic glass Cu46Zr46Al8, “Form and Function of Disorder”, Physica Status Solidi b (Jan. 2021, https://doi.org/10.1002/pssb.202000415).

(238) K. Subedi, K. Prasai and D. A. Drabold, Space-projected conductivity and spectral properties of the conduction matrix, in “Form and Function of Disorder”, Physica Status Solidi B 2000438 (2020). https://doi.org/10.1002/pssb.202000438

(239) Y. Alajerami et al. Investigation of Gamma radiation shielding properties of cadmium bismuth borate glass experimentally, XCOM program and MCNP5 code, “Form and Function of Disorder”, Physica Status Solidi b ( https://doi.org/10.1002/pssb.202000417, Published Nov. 2020).

(240) K. Subedi, V. Botu and D. A. Drabold, Atomistic properties of sodium silicate glasses obtained from the building block method, Phys. Rev. B 103 134202 (2021).

(241) Y.S. Alajerami, D. A. Drabold, Rajendra Thapa, M.I. Sayyed, M.H.A. Mhareb, Physical, structural, optical and Gamma-ray shielding properties of Na2O-CdO-Bi2O3-B2O3 glasses, Intl. J. Applied Glass Science 00 1 (2020), https://doi.org/10.1111/ijag.15859.

(242) R. Thapa and D. A. Drabold, Ab initio simulations of amorphous materials in Atomistic Computer Simulations of Glasses, Methodologies and Applications, Ed. by J. Du and A. Cormack, Wiley (2022)

(243) P. Biswas. G. Chen, S. Nakhmanson Jianjun Dong and D. A. Drabold, The Form and Function of Disorder, Festschrift, Phys. Stat. Sol. B (2021) (cover by K. Biswas) and introduction to the collection.

(244). R. Thapa, K. Prasai, R. Bassiri, M. Fejer and D. A. Drabold, Realistic computer models of amorphous ZrO2:Ta2O5: structural, optical and vibrational properties, Phys. Rev. B 105 224207 (2022).

(245) K. N. Subedi, K. Kappagantula, F. Kraft, A. Nittala, and D. A. Drabold, Electrical conduction processes in aluminum: defects and phonons, Phys. Rev. B 105 104114 (2022)..

(246) R. Thapa, C. Ugwumadu, K. Nepal, J. Trembly and D. A. Drabold, Ab initio simulation of amorphous graphite, Phys Rev Lett 128 236402 (2022).

(247) R. Thapa, C. Ugwumadu, K. Nepal, D. A. Drabold and M. T. Shatnawi, Ab initio simulation of amorphous GeSe3 and GeSe4, J. Non. Cryst. Sol. 601 121998 (2023).

(248) C. Ugwumadu, K. N. Subedi, R. Thapa, M. N. Kozicki and D. A. Drabold, Structure, Vibrations and Electronic Transport in Silicon Suboxides: Application to Physical Unclonable Functions, Submitted to J. Non. Cryst. Sol. (12/2022).

(249) C. Ugwumadu, K. Nepal, R. Thapa, Y. Lee, Y. Al Majali, J. Trembly and D. A. Drabold, Simulation of multi-shell fullerenes using Machine-Learning Gaussian Approximation Potential (Open Access) (pdf here) Carbon Trends 10 100239 (2023).

(250) C. Ugwumadu, K. Nepal, R. Thapa and D. A. Drabold, Atomistic nature of amorphous graphite, Physics and Chemistry of Glasses: European Journal of Glass Science and Technology Part B 64 16 (2023).

(251). C. Ugwumadu, R. Thapa, Y. Al-Majali, J. Trembly and D. A. Drabold, Formation of amorphous multi-walled carbon nanotubes from random initial configurations Physica Status Solidi B, (pdf here) Open Access, online 30 Dec 2022).

(252) K. Subedi, K. Nepal, C. Ugwumadu, K. Kappagantula and D. A. Drabold, Electronic transport in copper graphene composites, Applied Physics Letters 122 031903 (2023).