David Alan Drabold

发表

Kernel polynomial method for a nonorthogonal electronic-structure calculation of amorphous diamond

R. Silver, H. Röder, David Alan Drabold, 1997 .

Maximum entropy and the problem of moments: a stable algorithm.

A. K. Bhattacharya, David Alan Drabold, K. Bandyopadhyay, 2004, Physical review. E, Statistical, nonlinear, and soft matter physics.

Atomistic origin of urbach tails in amorphous silicon.

David Alan Drabold, Y. Pan, F. Inam, 2008, Physical review letters.

Structural transitions in dense disordered silicon from quantum-accurate ultra-large-scale simulations

Volker L. Deringer, S. Elliott, David Alan Drabold, 2019, 1912.07344.

Topics in the theory of amorphous materials

David Alan Drabold, 2009 .

Materials modeling by design: applications to amorphous solids

David Alan Drabold, P. Biswas, F. Inam, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

To appear in “Noncrystalline materials for Optoelectronics”,

David Alan Drabold, R. Atta-Fynn, 2004 .

Front Cover (Phys. Status Solidi B 5/2010)

David Alan Drabold, M. Thorpe, V. Kapko, 2010 .

Pentagonal puckering in a sheet of amorphous graphene

David Alan Drabold, M. Thorpe, F. Inam, 2011, physica status solidi (b).

Maximum entropy approach for linear scaling in the electronic structure problem.

David Alan Drabold, Sankey, Drabold, 1993, Physical review letters.

Properties of amorphous and crystalline titanium dioxide from first principles

David Alan Drabold, James P. Lewis, B. Cai, 2012, Journal of Materials Science.

Band gap engineering in amorphous AlxGa1−xN: Experiment and ab initio calculations

Martin E. Kordesch, David Alan Drabold, M. Kordesch, 2000 .

Electronic conduction mechanisms in GeSe$_3$:Ag and Al$_2$O$_3$:Cu

David Alan Drabold, K. Prasai, K. N. Subedi, 2019, 1901.04324.

Symmetry breaking and low energy conformational fluctuations in amorphous graphene

David Alan Drabold, Y. Li, 2012, 1210.3553.

Silicon: the gulf between crystalline and amorphous

David Alan Drabold, 2011 .

Towards a first-principles simulation and current-voltage characteristic of atomistic metal-oxide–semiconductor structures

David Alan Drabold, A. Demkov, Xiaodong Zhang, 2001 .

Electronic structure of schwarzite.

Adams, Phillips, David Alan Drabold, 1992, Physical review. B, Condensed matter.

Maximum Entropy in Condensed Matter Theory

David Alan Drabold, G. L. Jones, 1991 .

Ab initiomodels of amorphousSi1−xGex:H

David Alan Drabold, T. Abtew, 2007 .

Ab initio molecular-dynamics study of the structural, vibrational, and electronic properties of glassy GeSe2.

Cappelletti, David Alan Drabold, Cobb, 1996, Physical review. B, Condensed matter.

Structural origins of electronic conduction in amorphous copper-doped alumina

M. Kozicki, David Alan Drabold, K. Prasai, 2019, Physical Review Materials.

Electrons and phonons in amorphous semiconductors

David Alan Drabold, P. Biswas, K. Prasai, 2016 .

Small-Angle X-Ray Scattering in Amorphous Silicon: A Computational Study

S. Elliott, David Alan Drabold, P. Biswas, 2018, 1804.09134.

Measurement of Elliptic Flow Coefficients and Derivation of Reaction Plane Dependent Efficiency of Isolated Photons and 0 Mesons in sNN = 200 GeV Au+Au Collisions at RHIC-PHENIX

David Alan Drabold, H. Crawford, 2014 .

Topics in Applied Physics Managing Editors Assistant Editor Theory of Defects in Semiconductors Marker-method Calculations for Electrical Levels Using Gaussian-orbital Basis Sets Quasiparticle Calculations for Point Defects at Semiconductor Surfaces Multiscale Modeling of Defects in Semiconductors:

David Alan Drabold, S. Estreicher, C. Ascheron, 2006 .

Structure of diamond(100) stepped surfaces from ab initio calculations

David Alan Drabold, S. Ulloa, D. Alfonso, 1996 .

Molecular-dynamics determination of electronic and vibrational spectra, and equilibrium structures of small Si clusters.

David Alan Drabold, Sankey, Niklewski, 1990, Physical review. B, Condensed matter.

Thermally driven hopping and electron transport in amorphous materials from density functional calculations

David Alan Drabold, T. Abtew, 2004 .

Maximum entropy and the problem of moments: a stable algorithm.

A. K. Bhattacharya, David Alan Drabold, K. Bandyopadhyay, 2004, Physical review. E, Statistical, nonlinear, and soft matter physics.

Chemical origin of polarization-dependent photoinduced changes in an As36Se64 glass film via in situ synchrotron x-ray photoelectron spectroscopy

David Alan Drabold, S. Senanayake, H. Jain, 2009 .

ATOMISTIC STRUCTURE OF BAND-TAIL STATES IN AMORPHOUS SILICON

David Alan Drabold, Jianjun Dong, 1998 .

Ab initio models of amorphous InN

David Alan Drabold, B. Cai, 2009 .

Atomistic Nature of Amorphous Graphite

David Alan Drabold, C. Ugwumadu, K. Nepal, 2022, 2208.13892.

Strain relaxation mechanisms and local structural changes in Si 1 − x Ge x alloys

David Alan Drabold, C. Jayanthi, S. Wu, 2000, cond-mat/0012220.

Theory of diamondlike amorphous carbon.

David Alan Drabold, Fedders, Stumm, 1994, Physical review. B, Condensed matter.

Theory of temperature coefficient of resistivity: Application to amorphous Si and Ge

David Alan Drabold, M. Zhang, 2012, EPL (Europhysics Letters).

Temperature Coefficient of Resistivity in Amorphous Semiconductors

David Alan Drabold, Ming-Liang Zhang, Ming-Liang Zhang, 2011, 1112.2169.

Gap formation and defect states in tetrahedral amorphous carbon.

David Alan Drabold, Fedders, Grumbach., 1996, Physical review. B, Condensed matter.

Evidence for valence alternation, and a new structural model of amorphous selenium

David Alan Drabold, Xiaodong Zhang, 1998 .

Atomistic simulation of light-induced changes in hydrogenated amorphous silicon

David Alan Drabold, T. Abtew, 2005, cond-mat/0510818.

Radiation shielding properties of bismuth borate glasses doped with different concentrations of cadmium oxides

David Alan Drabold, K. Cimatu, M. Kurudirek, 2020 .

Phonon modes of diamond (100) surfaces from ab initio calculations.

David Alan Drabold, Alfonso, Ulloa, 1995, Physical review. B, Condensed matter.

Direct calculation of light-induced structural change and diffusive motion in glassy As2Se3

Li, David Alan Drabold, 2000, Physical review letters.

Enhanced radiative transition inSin David Alan Drabold, C. Jayanthi, S. Y. Wu, 2003, Physical Review B.

Enhanced radiative transition inSinGemnanoclusters

David Alan Drabold, C. Jayanthi, S. Wu, 2003, cond-mat/0304025.

Atomistic nature of amorphous graphite

David Alan Drabold, C. Ugwumadu, K. Nepal, 2022, Physics and Chemistry of Glasses: European Journal of Glass Science and Technology Part B.

Finite-temperature properties of amorphous silicon.

David Alan Drabold, Sankey, Klemm, 1991, Physical review letters.

Local-basis quasiparticle calculations and the dielectric response function of Si clusters

David Alan Drabold, S. Ulloa, Ming B. Yu, 2000 .

Ab Initio Simulation of Amorphous Graphite.

David Alan Drabold, J. Trembly, C. Ugwumadu, 2022, Physical review letters.

Density functional studies of small platinum clusters

J. B. Adams, David Alan Drabold, P. Ordejón, 1997 .

Dangling-bond defect in a-Si:H: Characterization of network and strain effects by first-principles calculation of the EPR parameters

David Alan Drabold, F. Inam, M. Zeman, 2013, Physical Review B.

Experimentally constrained molecular relaxation : The case of hydrogenated amorphous silicon

David Alan Drabold, P. Biswas, R. Atta-Fynn, 2007, 0709.1451.

Hydrogen dynamics and light-induced structural changes in hydrogenated amorphous silicon

David Alan Drabold, T. Abtew, 2006, cond-mat/0606222.

Approximateab initiocalculation of vibrational properties of hydrogenated amorphous silicon with inner voids

David Alan Drabold, S. Nakhmanson, 1998, Physical Review B.

Molecular-dynamics simulations of amorphous Si.

David Alan Drabold, Sankey, Dow, 1990, Physical review. B, Condensed matter.

Reﬁning Glass Structure

David Alan Drabold, M. Sadjadi, Bishal Bhattarai, 2017 .

Refining Glass Structure

David Alan Drabold, M. Sadjadi, Bishal Bhattarai, 2017 .

An intermediate phase in GexSe1−x glasses: experiment and simulation

David Alan Drabold, F. Inam, S. Billinge, 2007 .

Simulations of arsenic selenide glasses

David Alan Drabold, D. Tafen, Jun Li, 2003 .

Electronic transport in copper–graphene composites

David Alan Drabold, K. N. Subedi, C. Ugwumadu, 2022, Applied Physics Letters.

CHAPTER IX MOLECULAR DYNAMICS SIMULATIONS OF NETWORK GLASSES

David Alan Drabold, 2008 .

Electronic Structure Methods with Applications to Amorphous Semiconductors

David Alan Drabold, 1997 .

Physical, structural, optical and gamma‐ray shielding properties of Na 2 O‐CdO‐Bi 2 O 3 ‐B 2 O 3 glasses

David Alan Drabold, M. Sayyed, M. Mhareb, 2020 .

Physical, structural, and shielding properties of cadmium bismuth borate-based glasses

David Alan Drabold, K. Cimatu, K. N. Subedi, 2020 .

Phonon driven transport in amorphous semiconductors: transition probabilities

David Alan Drabold, Ming-Liang Zhang, Ming-Liang Zhang, 2009, 1004.0404.

Atomic properties of sodium silicate glasses obtained from the building-block method

David Alan Drabold, V. Botu, K. N. Subedi, 2021 .

Forced Enhanced Atomic Refinement Modeling of the Metallic Glass Cu46Zr46Al8

David Alan Drabold, K. N. Subedi, R. Thapa, 2021, physica status solidi (b).

Vibrations in amorphous silica

David Alan Drabold, Bishal Bhattarai, 2016 .

Space‐Projected Conductivity and Spectral Properties of the Conduction Matrix

David Alan Drabold, K. Prasai, K. N. Subedi, 2020, physica status solidi (b).

Structure and charge transport of amorphous Cu-doped Ta2O5 : An ab initio study

M. Kozicki, David Alan Drabold, K. N. Subedi, 2020, Physical Review Materials.

Spatial Projection of Electronic Conductivity: The Example of Conducting Bridge Memory Materials

David Alan Drabold, P. Biswas, K. Prasai, 2018, physica status solidi (RRL) - Rapid Research Letters.

Electrical Activity of Boron and Phosphorus in Hydrogenated Amorphous Silicon

David Alan Drabold, N. Podraza, Anup Pandey, 2014, Physical Review Applied.

The microscopic response method: Theory of transport for systems with both topological and thermal disorder

David Alan Drabold, Mingliang Zhang, 2010, 1008.1067.

Electrical conductivity calculations: Structural disorder and the role of degenerate or resonant electron states

David Alan Drabold, Mingliang Zhang, 2010 .

Electrical conductivity and Meyer–Neldel rule: The role of localized states in hydrogenated amorphous silicon

David Alan Drabold, T. Abtew, Mingliang Zhang, 2008 .

Ab initio estimate of temperature dependence of electrical conductivity in a model amorphous material: Hydrogenated amorphous silicon

David Alan Drabold, M. Zhang, T. Abtew, 2007, 0705.2384.

Ab initio study of diamond C(100) surfaces.

Yang, Adams, David Alan Drabold, 1993, Physical review. B, Condensed matter.

Investigation of Gamma‐Radiation Shielding Properties of Cadmium Bismuth Borate Glass Experimentally and by Using XCOM Program and MCNP5 Code

David Alan Drabold, K. Cimatu, K. Abushab, 2020, physica status solidi (b).

Physical, structural, optical and gamma-ray shielding properties of Na2O-CdO-Bi2O3-B2O3 glasses

David Alan Drabold, Sayyed, Thapa, 2020 .

The Aquila Digital Community The Aquila Digital Community Inversion of Diffraction Data for Amorphous Materials Inversion of Diffraction Data for Amorphous Materials

David Alan Drabold, P. Biswas, Anup Pandey, 2019 .

Inversion of diffraction data for amorphous materials

Parthapratim Biswas, David Alan Drabold, P. Biswas, 2016, Scientific Reports.

Force-enhanced atomic refinement: Structural modeling with interatomic forces in a reverse Monte Carlo approach applied to amorphous Si and SiO 2

David Alan Drabold, P. Biswas, Anup Pandey, 2015 .

Sculpting the band gap: a computational approach

Kiran Prasai, Parthapratim Biswas, D. A. Drabold, 2015, Scientific Reports.

Structure determination of disordered materials from diffraction data.

Matthew J Cliffe, Andrew L Goodwin, Martin T Dove, 2009, Physical review letters.

Molecular Dynamics Simulations of Network Glasses

David Alan Drabold, 2000 .

Structure and energetics of giant fullerenes: An order-N molecular-dynamics study.

Martin, David Alan Drabold, Mártin, 1996, Physical review. B, Condensed matter.

Origins of structural and electronic transitions in disordered silicon

Volker L. Deringer, David Alan Drabold, Gábor Csányi, 2021, Nature.

THEORETICAL STUDY ON THE NATURE OF BAND-TAIL STATES IN AMORPHOUS SI

Serge Nakhmanson, David Alan Drabold, P. Fedders, 1998 .

Title : Ab initio study of Cu diffusion in alpha-cristobalite Year : 2012 Version : Final

David Alan Drabold, R. Nieminen, A. Foster, 2012 .

Advances and applications in the FIREBALL ab initio tight‐binding molecular‐dynamics formalism

Alexander A. Demkov, Hong Wang, Gary B. Adams, 2011 .

Topological and topological-electronic correlations in amorphous silicon

David Alan Drabold, D. A. Drabold, Yue Pan, 2007, 0710.0175.

Structural and electronic properties of glassy GeSe

David Alan Drabold, Xiaodong Zhang, 2000 .

Electronic structure of a realistic model of amorphous graphene

David Alan Drabold, M. Thorpe, V. Kapko, 2009, physica status solidi (b).

Alternative approach to computing transport coefficients: application to conductivity and Hall coefficient of hydrogenated amorphous silicon.

David Alan Drabold, Ming-Liang Zhang, 2010, Physical review letters.

Models and modeling schemes for binary IV-VI glasses

David Alan Drabold, D. Tafen, 2005 .

Radiation fields for nanoscale systems

David Alan Drabold, Mingliang Zhang, 2012, physica status solidi (b).

Structure, vibrations and electronic transport in silicon suboxides: Application to physical unclonable functions

M. Kozicki, David Alan Drabold, S. Swain, 2023, Journal of Non-Crystalline Solids: X.

Density-Functional Study of Chemisorption of Oxygen on Al(111)

J. B. Adams, David Alan Drabold, R. Ramprasad, 1993 .

Photoinduced changes in the electronic structure of As4Se3 glass

David Alan Drabold, H. Jain, M. Vlcek, 2003 .

Density dependence of the structural and electronic properties of amorphous GaN

David Alan Drabold, M. Yu, 1998 .

Ab initio molecular-dynamics study of liquid GeSe

David Alan Drabold, M. Cobb, 1997 .

Ab initio molecular-dynamics study of the structural, vibrational, and electronic properties of glassy GeSe2.

Cappelletti, David Alan Drabold, R. Cappelletti, 1996, Physical review. B, Condensed matter.

Electronically designed amorphous carbon and silicon

David Alan Drabold, P. Biswas, K. Prasai, 2016 .

Electronic Structure and Topological Disorder in sp Phases of Carbon

David Alan Drabold, Y. Li, 2014 .

First-order pressure-induced polyamorphism in germanium

David Alan Drabold, M. Durandurdu, 2002 .

Linear system-size scaling methods for electronic-structure calculations.

Martin, David Alan Drabold, Mártin, 1995, Physical review. B, Condensed matter.

Pressure-induced structural phase transition of paracrystalline silicon

David Alan Drabold, M. Durandurdu, 2002 .

Electronic signatures of topological disorder in amorphous graphene

David A. Drabold, Yuting Li, David Alan Drabold, 2015, IET Circuits Devices Syst..

Structure and dynamics of a silver-doped chalcogenide glass: An ab initio study

David Alan Drabold, H. Castillo, Dale J. Igram, 2019, Journal of Non-Crystalline Solids.

Atomistic Simulations of Flash Memory Materials Based on Chalcogenide Glasses

David Alan Drabold, B. Cai, B. Prasai, 2011, 1103.6051.

Study of structural changes in amorphous As2Se3 by EXAFS under in situ laser irradiation

David Alan Drabold, S. Khalid, H. Jain, 2001 .

CAN AMORPHOUS GAN SERVE AS A USEFUL ELECTRONIC MATERIAL

David Alan Drabold, P. Stumm, 1997 .

Theory of defects in semiconductors

Stefan K. Estreicher, David Alan Drabold, S. Estreicher, 2007 .

Morphology and Number Density of Voids In Hydrogenated Amorphous Silicon: An Ab Initio Study

David Alan Drabold, P. Biswas, R. Atta-Fynn, 2017 .

Density functional theory model of amorphous zinc oxide (a-ZnO) and a-X0.375Z0.625O (X= Al, Ga and In)

David Alan Drabold, Anup Pandey, H. Scherich, 2016, 1610.00156.

Microstructure from joint analysis of experimental data and ab initio interactions: Hydrogenated amorphous silicon

David Alan Drabold, P. Biswas, R. Atta-Fynn, 2014 .

Information-driven inverse approach to disordered solids: Applications to amorphous silicon

David Alan Drabold, P. Biswas, R. Atta-Fynn, 2018, Physical Review Materials.

Evolution of amorphous carbon across densities: An inferential study

David Alan Drabold, Anup Pandey, Bishal Bhattarai, 2017, 1712.01437.

Inverse approach to atomistic modeling: Applications to a-Si:H and g-GeSe2

David Alan Drabold, P. Biswas, 2008, 0801.3685.

Real space information from fluctuation electron microscopy: applications to amorphous silicon

David Alan Drabold, P. Biswas, R. Atta-Fynn, 2007, 0707.4012.

Defects in Amorphous Semiconductors: Amorphous Silicon

David Alan Drabold, 2007 .

Experimentally constrained molecular relaxation: The case of glassy Ge Se 2

David Alan Drabold, P. Biswas, D. Tafen, 2004, cond-mat/0412342.

Observation of light polarization-dependent structural changes in chalcogenide glasses

Jun Li, Miroslav Vlcek, Himanshu Jain, 2003 .

Self-trapping in B-doped amorphous Si: Intrinsic origin of low acceptor efficiency

David Alan Drabold, P. Castrillo, W. Windl, 2010, Physical Review B.

Ab initio studies of hydrocarbon adsorption on stepped diamond surfaces.

Yang, David Alan Drabold, Alfonso, 1994, Physical Review B (Condensed Matter).

Structure and physical properties of paracrystalline atomistic models of amorphous silicon

Paul M. Voyles, Michael Treacy, J. M. Gibson, 2001 .

First-Principles Studies of Hydrogenated Si(111)-7×7

David Alan Drabold, S. Ulloa, C. Noguez, 1995, cond-mat/9510165.

Binding and diffusion of a Si adatom around type B steps on Si(001) c(4 × 2)

David Alan Drabold, A. Rockett, Jun Wang, 1995 .

Binding and diffusion of a Si adatom around the type A step on Si(001) c(4×2)

David Alan Drabold, A. Rockett, Jun Wang, 1995 .

Ring formation and the structural and electronic properties of tetrahedral amorphous carbon surfaces

David Alan Drabold, Jianjun Dong, 1998 .

Properties of amorphous GaN from first-principles simulations

David Alan Drabold, B. Cai, 2011 .

First principles molecular dynamics study of amorphous AlxGa1−xN alloys

David Alan Drabold, Kuiying Chen, 2002 .

Realistic models of paracrystalline silicon

G. Barkema, David Alan Drabold, N. Mousseau, 2001, Physical Review B.

MODELS OF PARACRYSTALLINE SILICON WITH A DEFECT-FREE BANDGAP

G. Barkema, David Alan Drabold, N. Mousseau, 2001 .

Ab initio determination of ion traps and the dynamics of silver in silver-doped chalcogenide glass

David Alan Drabold, F. Inam, I. Chaudhuri, 2008, 0811.1982.

Realistic models of binary glasses from models of tetrahedral amorphous semiconductors

David Alan Drabold, D. Tafen, 2003 .

Approximate ab initio simulations of amorphous silicon and glassy chalcogenides

David Alan Drabold, Jun Li, 2001 .

Studies of silicon dihydride and its potential role in light-induced metastability in hydrogenated amorphous silicon

David Alan Drabold, P. Taylor, T. Abtew, 2005 .

Physical properties of a GeS 2 glass using approximate ab initio molecular dynamics

David Alan Drabold, P. Jund, S'ebastien Blaineau, 2003, cond-mat/0302023.

Unconstrained minimization approach for electronic computations that scales linearly with system size.

Martin, David Alan Drabold, Mártin, 1993, Physical review. B, Condensed matter.

Electronic structure of glassy chalcogenides As4Se4 and As2Se3: a joint theoretical and experimental study.

David Alan Drabold, S. Krishnaswami, H. Jain, 2002, Physical review letters.

Correlations between higher-order rings and microvoids in hydrogenated amorphous silicon

David Alan Drabold, P. Biswas, 2015 .

Exciton-induced lattice relaxation and the electronic and vibrational spectra of silicon clusters.

Song, David Alan Drabold, Ulloa, 1996, Physical review. B, Condensed matter.

Quantifying Chemical Structure and Machine‐Learned Atomic Energies in Amorphous and Liquid Silicon

Noam Bernstein, Volker L. Deringer, Gábor Csányi, 2018, Angewandte Chemie.

Large and realistic models of amorphous silicon

David Alan Drabold, P. Biswas, Bishal Bhattarai, 2018, Journal of Non-Crystalline Solids.

Hidden structure in amorphous solids

David Alan Drabold, James P. Lewis, F. Inam, 2009, 0908.0777.

Network structure and dynamics of hydrogenated amorphous silicon

David Alan Drabold, Y. Pan, F. Inam, 2007, 0709.1655.

High-pressure phases of amorphous and crystalline silicon

David Alan Drabold, M. Durandurdu, 2003 .

Ab initio simulation of pressure-induced low-energy excitations in amorphous silicon

David Alan Drabold, M. Durandurdu, 2002 .

Comment on “Boson peak in amorphous silicon: A numerical study”

David Alan Drabold, N. Mousseau, S. Nakhmanson, 2002 .

Electrons and Phonons in amorphous Si: Deformation Potentials and Solutions of the Time Dependent Schrödinger Equation

David Alan Drabold, Jun Li, 2002 .

Electronic Structure of Amorphous Insulators and Photo-Structural Effects in Chalcogenide Glasses

David Alan Drabold, Xiaodong Zhang, S. Nakhmanson, 2001 .

Anderson transition and thermal effects on electron states in amorphous silicon

David Alan Drabold, 1999, cond-mat/9909455.

Computer simulation of low-energy excitations in amorphous silicon with voids

David Alan Drabold, S. Nakhmanson, 1999, cond-mat/9909457.

The structure of electronic states in amorphous silicon.

David Alan Drabold, S. Nakhmanson, U. Stephan, 1999, Journal of molecular graphics & modelling.

A molecular dynamics study of band tails in a-Si:H

David Alan Drabold, P. Fedders, 1999 .

Band tail states and the Anderson transition in amorphous silicon

David Alan Drabold, Jianjun Dong, 1998, Journal of Non-Crystalline Solids.

Defects, doping, and conduction mechanisms in nitrogen-doped tetrahedral amorphous carbon

David Alan Drabold, P. Fedders, P. Stumm, 1997 .

Defects, tight binding, and first-principles molecular-dynamics simulations on a-Si.

David Alan Drabold, Klemm, Fedders, 1992, Physical review. B, Condensed matter.

Building block modeling technique: Application to ternary chalcogenide glasses g-Ge 2 As 4 Se 4 and g-AsGe 0.8 Se 0.8

David Alan Drabold, Xiaodong Zhang, B. Cai, 2011 .

Extended-range computation of Wannier-like functions in amorphous semiconductors

David Alan Drabold, R. Martin, U. Stephan, 2000 .

Application of local-spin-density approximation to a-Si and tetrahedral a-C

David Alan Drabold, D. Sánchez-Portal, J. Soler, 1999 .

Electronic consequences of the mutual presence of thermal and structural disorder

David Alan Drabold, P. Fedders, 1999 .

Order-N projection method for first-principles computations of electronic quantities and Wannier functions

Uwe Stephan, David Alan Drabold, David A. Drabold, 1998 .

AB INITIO MOLECULAR-DYNAMICS STUDY OF LIQUID GESE2

David Alan Drabold, M. Cobb, 1997 .

Hydrogen and defects in first-principles molecular-dynamics-modeled a-Si:H.

David Alan Drabold, Fedders, 1993, Physical Review B (Condensed Matter).

Quantifying Chemical Structure and Atomic Energies in Amorphous Silicon Networks.

Noam Bernstein, Volker L. Deringer, Stephen R. Elliott, 2018, 1811.11069.

Ab initiosimulation of first-order amorphous-to-amorphous phase transition of silicon

David Alan Drabold, M. Durandurdu, 2001 .

Low-temperature anomalous specific heat without tunneling modes: a simulation for a-Si with voids

David Alan Drabold, S. Nakhmanson, 1999, cond-mat/9911246.

Symmetry breaking and low energy conformational fluctuations in amorphous graphene

David Alan Drabold, Yuting Li, 2013 .

The Atomistic and Quantum Mechanical Origins of Light-Induced Defects in a-Si

David Alan Drabold, P. Fedders, Y. Fu, 1992 .

Realistic Models of Hydrogenated Amorphous Si

David Alan Drabold, P. Fedders, 1992 .

Ultrafast defect dynamics: A new approach to all optical broadband switching employing amorphous selenium thin films

David Alan Drabold, Rituraj Sharma, K. V. Adarsh, 2015 .

Atomistic comparison between stoichiometric and nonstoichiometric glasses: The cases of As2Se3 and As4Se4

David Alan Drabold, Jun Li, 2001 .

Ab initio inversion of structure and the lattice dynamics of a metallic glass: the case of Pd40Ni40P20

David Alan Drabold, R. Thapa, Bishal Bhattarai, 2019, Modelling and Simulation in Materials Science and Engineering.

Competing stoichiometric phases and the intermediate phase in GexSe1−x glasses

David Alan Drabold, F. Inam, D. Tafen, 2009 .

Neutron-scattering and ab initio molecular-dynamics study of vibrations in glassy GeSe2.

Cappelletti, David Alan Drabold, Kamitakahara, 1995, Physical review. B, Condensed matter.

High‐throughput evaluation in nitrogen doping of amorphous titanium dioxide

David Alan Drabold, K. Prasai, James P. Lewis, 2014 .

Energetics of Large Fullerenes: Balls, Tubes, and Capsules

David Alan Drabold, O. Sankey, J. B. Page, 1992, Science.

Ab initio simulation of layered amorphous graphene

David Alan Drabold, J. Trembly, C. Ugwumadu, 2022 .

Simulations of boron doping in a-Si:H

David Alan Drabold, P. Fedders, 1998 .

Molecular Dynamics Investigations of Boron Doping in a-Si:H

David Alan Drabold, P. Fedders, 1997 .

Silver transport inGexSe1−x:Agmaterials:Ab initiosimulation of a solid electrolyte

M. Mitkova, David Alan Drabold, D. Tafen, 2005 .

Approximate theory of temperature coefficient of resistivity of amorphous semiconductors

David Alan Drabold, Ming-Liang Zhang, 2011, 1112.4723.

The work done by an external electromagnetic field

David Alan Drabold, Mingliang Zhang, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Amorphous carbon at low densities: An ab initio study

David Alan Drabold, Bishal Bhattarai, 2017 .

Structural, electronic, and vibrational properties of diamond (100), (111), and (110) surfaces from ab initio calculations.

David Alan Drabold, Alfonso, Ulloa, 1995, Physical review. B, Condensed matter.

Comment on "Structure, dynamics, and electronic properties of diamondlike amorphous carbon"

David Alan Drabold, Fedders, Stumm, 1994, Physical review letters.

Molecular Dynamics Studies of Diamondlike Amorphous Carbon

David Alan Drabold, P. Fedders, 1994 .

Linear scaling method for phonon calculations from electronic structure.

Martin, David Alan Drabold, Mártin, 1995, Physical review letters.

Electron hopping between localized states: A simulation of the finite-temperature Anderson problem using density functional methods

David Alan Drabold, Jun Li, 2003 .

Simulation of Multi-Shell Fullerenes Using Machine-Learning Gaussian Approximation Potential

David Alan Drabold, C. Ugwumadu, K. Nepal, 2022, SSRN Electronic Journal.

Study of light-induced vector changes in the local atomic structure of As–Se glasses by EXAFS

David Alan Drabold, S. Khalid, H. Jain, 2003 .

Atomistic Observation of Light-induced Vector and Scalar Effects in a Chalcogenide Glass

David Alan Drabold, S. Khalid, H. Jain, 2002 .

Static and dynamic properties of hydrogenated amorphous silicon with voids

David Alan Drabold, S. Chakraborty, 2009 .

Band-tail states and the localized-to-extended transition in amorphous diamond.

David Alan Drabold, Dong, 1996, Physical review. B, Condensed matter.

First-principles local-orbital density-functional study of Al clusters.

Yang, Adams, David Alan Drabold, 1993, Physical review. B, Condensed matter.

Improved accuracy and acceleration of variational order-N electronic-structure computations by projection techniques

Richard M. Martin, Uwe Stephan, David Alan Drabold, 1998 .

High Precision Detection of Change in Intermediate Range Order of Amorphous Zirconia-Doped Tantala Thin Films Due to Annealing.

M. Fejer, David Alan Drabold, A. Markosyan, 2019, Physical review letters.

Ultrafast light induced unusually broad transient absorption in the sub-bandgap region of GeSe2 thin film

David Alan Drabold, M. Bapna, K. Adarsh, 2014, Scientific Reports.

Spectral properties of large fullerenes : from cluster to crystal

David Alan Drabold, J. Dong, R. Martin, 1995 .

Universal features of localized eigenstates in disordered systems

David Alan Drabold, J. J. Ludlam, S. Taraskin, 2005 .

Ab initio density-functional studies of 13-atom Cu and Ag clusters

David Alan Drabold, P. Biswas, R. Atta-Fynn, 2018, Journal of Physics: Conference Series.

Origins of structural and electronic transitions in disordered silicon

Volker L. Deringer, David Alan Drabold, Gábor Csányi, 2021, Nature.

Dipolar broadening in magnetically diluted lattices.

David Alan Drabold, Fedders, 1988, Physical review. B, Condensed matter.

Urbach tails of amorphous silicon

David Alan Drabold, Yuting Li, B. Cai, 2011 .

Atomistic origin of rapid crystallization of Ag‐doped Ge–Sb–Te alloys: A joint experimental and theoretical study

David Alan Drabold, M. Kordesch, G. Chen, 2013, 1302.5757.

Atomic layering at the liquid silicon surface: A first-principles simulation

France., Usa, Spain., 1999, cond-mat/9907380.

Theoretical study of an amorphous chalcogenide surface

David Alan Drabold, F. Inam, 2008 .

Shear viscosity: velocity gradient as a constraint on wave function

David Alan Drabold, M. Zhang, 2012, 1211.2362.

Modeling of Glasses: Electronic Conduction Mechanisms in GeSe3:Ag and Al2O3:Cu

David Alan Drabold, K. Prasai, K. N. Subedi, 2021 .

Applications of Maximum Entropy to Condensed Matter Physics

David Alan Drabold, P. Fedders, A. Carlsson, 1989 .

Optical Signature of the GaN (1010) Surface

David Alan Drabold, S. Ulloa, C. Noguez, 1996 .

Systematic study of electron localization in an amorphous semiconductor

David Alan Drabold, P. Biswas, P. Ordejón, 2003, cond-mat/0312333.

Voids in Hydrogenated Amorphous Silicon: A Comparison of ab initio Simulations and Proton NMR Studies

David Alan Drabold, S. Chakraborty, D. Bobela, 2008 .

Ab initio models of amorphous Si1−xGex :H

David Alan Drabold, T. Abtew, 2007 .

Understanding Defects in Amorphous Silicon with Million-Atom Simulations and Machine Learning.

Volker L. Deringer, David Alan Drabold, A. Goodwin, 2023, Angewandte Chemie.

First principles modeling of the structural, electronic, and vibrational properties of Ni40Pd40P20 bulk metallic glass

David Alan Drabold, P. Biswas, R. Atta-Fynn, 2018, Journal of Non-Crystalline Solids: X.

Ab initio study of Cu diffusion in α-cristobalite

David Alan Drabold, R. Nieminen, A. Foster, 2012, New Journal of Physics.

Recent Developments in Computer Modeling of Amorphous Materials

David Alan Drabold, P. Biswas, D. Tafen, 2003, cond-mat/0312607.

Computer simulation of carbonization and graphitization of coal

N. L. Smith, David Alan Drabold, Y. Al-Majali, 2023, Nanotechnology.

The Work Done by an External Field

David Alan Drabold, Mingliang Zhang, 2010, 1011.4113.

The inclusion of experimental information in first principles modelling of materials

David Alan Drabold, P. Biswas, D. Tafen, 2004 .

Molecular-dynamics investigations of conformational fluctuations and low-energy vibrational excitations in a-Si:H.

David Alan Drabold, Fedders, 1996, Physical review. B, Condensed matter.

Disorder in Order : hous materials

David Alan Drabold, Ming-Liang Zhang, ing S. R. Elliott, 2013 .

Formation of Amorphous Carbon Multi‐Walled Nanotubes from Random Initial Configurations

David Alan Drabold, C. Ugwumadu, R. Thapa, 2022, physica status solidi (b).

Structure determination of disordered materials from diffraction data.

David Alan Drabold, M. Cliffe, Martin T. Dove, 2009, Physical Review Letters.

Spatial uniformity as a principle for determination of atomistic structural models

David Alan Drabold, A. Goodwin, B. Cai, 2011 .

Electronic Conductivity in Metal-Graphene Composites: The Role of Disordered Carbon Structures, Defects, and Impurities

David Alan Drabold, C. Ugwumadu, K. Nepal, 2023, Journal of Physics: Materials.

First-principles electronic structure calculations with molecular dynamics made easy

David Alan Drabold, J. Spence, O. Sankey, 1991 .

Semiquantitative scattering theory of amorphous materials

David Alan Drabold, Y. Pan, F. Inam, 2008, 0805.2575.

The inclusion of experimental information in first principles modelling of materials

David Alan Drabold, P. Biswas, D. Tafen, 2004 .

Structural origin of the intermediate phase in Ge–Se glasses

David Alan Drabold, F. Inam, Gang Chen, 2010 .

Silver transport inGexSe1−x:Agmaterials:Ab initiosimulation of a solid electrolyte

M. Mitkova, David Alan Drabold, D. Tafen, 2005, cond-mat/0506471.

Amorphous graphene: a constituent part of low density amorphous carbon.

David Alan Drabold, P. Biswas, R. Atta-Fynn, 2018, Physical chemistry chemical physics : PCCP.

Approximateab initiocalculations of electronic structure of amorphous silicon

David Alan Drabold, N. Mousseau, M. Durandurdu, 2000 .

The Aquila Digital Community The Aquila Digital Community

David Alan Drabold, P. Biswas, R. Atta-Fynn, 2022 .

Ab-initio Calculation of Structural and Electrical Properties of Amorphous TiO 2

David Alan Drabold, James P. Lewis, B. Cai, 2011 .