List of works - David Drabold

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

scientific article published on 01 November 1996

Ab initio studies of hydrocarbon adsorption on stepped diamond surfaces

scientific article published on 01 November 1994

Ab initio study of diamond C(100) surfaces

scientific article published on 01 August 1993

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

scientific article published on 29 October 2010

Amorphous graphene: a constituent part of low density amorphous carbon

scientific article published on 01 July 2018

Application of local-spin-density approximation toa−Siand tetrahedrala−C

scholarly article in Physical Review B, vol. 60 no. 15, October 1999

Approximate ab initio calculations of electronic structure of amorphous silicon

article

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

scholarly article

Atomistic origin of urbach tails in amorphous silicon

scientific article published on 21 May 2008

Atomistic origins of light-induced defects in a-Si

scientific article published on 01 March 1992

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

scientific article published on 01 October 1996

Can Amorphous GaN Serve as a Useful Electronic Material?

scholarly article

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

scientific article published on 01 April 1994

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

scholarly article in Physical Review B, vol. 66 no. 8, August 2002

Comparison of the Kubo formula, the microscopic response method, and the Greenwood formula

scientific article published on 21 January 2011

Convergence of force calculations for noncrystalline Si

scientific article published on 01 September 1990

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

scholarly article in Physical Review B, vol. 87 no. 12, March 2013

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

scientific article published on 01 February 1992

Dipolar broadening in magnetically diluted lattices

scientific article published on 01 March 1988

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

scientific article published on 01 September 2000

Easily evaluated expressions for second and fourth moments of resonant absorption spectra for spin systems

scientific article published on 01 January 1988

Efficient ab initio molecular-dynamics simulations of carbon

scientific article published on 01 February 1991

Electronic conductivity in metal-graphene composites: the role of disordered carbon structures, defects, and impurities

scholarly article

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

scientific article published on 14 January 2002

Electronic structure of schwarzite

scientific article published on 01 July 1992

Energetics of large fullerenes: balls, tubes, and capsules.

scientific article published in June 1992

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

scientific article published on 01 March 1996

Finite-temperature properties of amorphous silicon

scientific article published on 01 October 1991

First Principles Study of Polymer-Metal—Metal-Oxide Adhesion

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

scientific article published on 01 January 1993

First-principles simulations of a-Si and a-Si:H surfaces

scientific article published on 01 December 1993

First-principles studies of hydrogenated Si(111)-7 x 7

scientific article published on 01 September 1996

Gap formation and defect states in tetrahedral amorphous carbon

scientific article published on 01 August 1996

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

scientific article published on 01 July 2019

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

scientific article published on 01 May 1993

Inversion of diffraction data for amorphous materials

scientific article

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

scholarly article published on 15 June 1997

Large and realistic models of amorphous silicon

scholarly article published in July 2018

Linear Scaling Method for Phonon Calculations from Electronic Structure

scientific article published on 14 August 1995

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

scientific article published in January 1995

Materials modeling by design: applications to amorphous solids.

scientific article published on 30 January 2009

Maximum entropy and the problem of moments: a stable algorithm

scientific article published on 12 May 2005

Maximum entropy approach for linear scaling in the electronic structure problem

scientific article published on 01 June 1993

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

scientific article published on 01 June 1990

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

scientific article published on 01 February 1996

Molecular-dynamics simulations of amorphous Si

scientific article published on 01 September 1990

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

scientific article published on 01 October 1995

Nuclear spin-lattice relaxation times for mixtures of ortho- and para-H2. II. Low ortho-H2 concentration

scientific article published on 01 April 1989

Nuclear spin-lattice relaxation times for mixtures of ortho- and para-H2: High ortho-H2 concentration

scientific article published on 01 February 1989

Numerical studies of the vibrational isocoordinate rule in chalcogenide glasses

article

Origins of structural and electronic transitions in disordered silicon

scientific article published on 06 January 2021

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

scientific article published on 01 January 1995

Projected random vectors and the recursion method in the electronic-structure problem

scientific article published on 01 July 1994

Properties of the Al-Si solid solution: Dynamical properties of the silicon substitutional and the aluminum vacancy

scientific article published on 01 March 1994

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

scientific article published on 17 April 2019

Realistic models of paracrystalline silicon

scientific article

Sculpting the band gap: a computational approach

scientific article

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

scholarly article in Physical Review B, vol. 81 no. 3, January 2010

Simulations of silver-doped germanium-selenide glasses and their response to radiation.

scientific article published on 29 October 2014

Spatial decay of the single-particle density matrix in insulators: analytic results in two and three dimensions

scientific article published on 30 April 2002

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

scientific article published on 01 May 1995

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

scholarly article

Structure and energetics of giant fullerenes: An order-Nmolecular-dynamics study

scientific article published on 15 January 1996

Structure determination of disordered materials from diffraction data

scientific article published on 22 March 2010

Systematic study of electron localization in an amorphous semiconductor

scientific article published on 26 February 2004

The structure of electronic states in amorphous silicon

scientific article published on 01 October 1999

The work done by an external electromagnetic field.

scientific article published on 8 February 2011

Theory of diamondlike amorphous carbon

scientific article published on 01 June 1994

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

scholarly article

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

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

scientific article published on 14 January 2014

List of works by David Drabold

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

Ab initio studies of hydrocarbon adsorption on stepped diamond surfaces

Ab initio study of diamond C(100) surfaces

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

Amorphous graphene: a constituent part of low density amorphous carbon

Application of local-spin-density approximation toa−Siand tetrahedrala−C

Approximate ab initio calculations of electronic structure of amorphous silicon

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

Atomistic origin of urbach tails in amorphous silicon

Atomistic origins of light-induced defects in a-Si

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

Can Amorphous GaN Serve as a Useful Electronic Material?

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

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

Comparison of the Kubo formula, the microscopic response method, and the Greenwood formula

Convergence of force calculations for noncrystalline Si

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

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

Dipolar broadening in magnetically diluted lattices

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

Easily evaluated expressions for second and fourth moments of resonant absorption spectra for spin systems

Efficient ab initio molecular-dynamics simulations of carbon

Electronic conductivity in metal-graphene composites: the role of disordered carbon structures, defects, and impurities

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

Electronic structure of schwarzite

Energetics of large fullerenes: balls, tubes, and capsules.

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

Finite-temperature properties of amorphous silicon

First Principles Study of Polymer-Metal—Metal-Oxide Adhesion

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

First-principles simulations of a-Si and a-Si:H surfaces

First-principles studies of hydrogenated Si(111)-7 x 7

Gap formation and defect states in tetrahedral amorphous carbon

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

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

Inversion of diffraction data for amorphous materials

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

Large and realistic models of amorphous silicon

Linear Scaling Method for Phonon Calculations from Electronic Structure

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

Materials modeling by design: applications to amorphous solids.

Maximum entropy and the problem of moments: a stable algorithm

Maximum entropy approach for linear scaling in the electronic structure problem

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

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

Molecular-dynamics simulations of amorphous Si

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

Nuclear spin-lattice relaxation times for mixtures of ortho- and para-H2. II. Low ortho-H2 concentration

Nuclear spin-lattice relaxation times for mixtures of ortho- and para-H2: High ortho-H2 concentration

Numerical studies of the vibrational isocoordinate rule in chalcogenide glasses

Origins of structural and electronic transitions in disordered silicon

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

Projected random vectors and the recursion method in the electronic-structure problem

Properties of the Al-Si solid solution: Dynamical properties of the silicon substitutional and the aluminum vacancy

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

Realistic models of paracrystalline silicon

Sculpting the band gap: a computational approach

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

Simulations of silver-doped germanium-selenide glasses and their response to radiation.

Spatial decay of the single-particle density matrix in insulators: analytic results in two and three dimensions

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

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

Structure and energetics of giant fullerenes: An order-Nmolecular-dynamics study

Structure determination of disordered materials from diffraction data

Systematic study of electron localization in an amorphous semiconductor

The structure of electronic states in amorphous silicon

The work done by an external electromagnetic field.

Theory of diamondlike amorphous carbon

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

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

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

Universal features of localized eigenstates in disordered systems