David A. Strubbe

Materials Science · Physical Sciences

16h-index3.4kcitations111works1.52yr avg
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Research Topics

2D Materials and Applications(23), Advanced Chemical Physics Studies(18), Molecular Junctions and Nanostructures(15), Perovskite Materials and Applications(13), Machine Learning in Materials Science(10)

Publications111 total

Analyzing Band Gaps in Ensemble Density Functional Theory using Thermodynamic Limits of Finite One-Dimensional Model Systems
arXiv (Cornell University)·2026Open Access
Analyzing Band Gaps in Ensemble Density Functional Theory using Thermodynamic Limits of Finite One-Dimensional Model Systems
arXiv (Cornell University)·2026Open Access
Low Frequency Vibrational Modes of Two-Dimensional Lead-Free Metal Halide Double Perovskites
The Journal of Physical Chemistry C·2025
Computational and Experimental Investigation of Chiral and Achiral Two‐Dimensional Organic Lead Bromide Perovskites: Octahedral Distortions and Electronic and Optical Properties
ChemPhysChem·2025· 1 citedOpen Access
How to choose efficiently the size of the Bethe-Salpeter equation Hamiltonian for accurate exciton calculations on supercells
Physical review. B./Physical review. B·2025Open Access
Computational and Experimental Investigation of Chiral and Achiral 2D Organic Lead Bromide Perovskites: Octahedral Distortions and Electronic and Optical Properties
arXiv (Cornell University)·2025Open Access
Pausing ultrafast melting by timed multiple femtosecond-laser pulses
Communications Physics·2025· 1 citedOpen Access
Revisiting ab-initio excited state forces from many-body Green's function formalism: approximations and benchmark
ArXiv.org·2025· 1 citedOpen Access
Resolving Discrepancies in Calculations of Mechanical Properties of CH\textsubscript{3}NH\textsubscript{3}PbI\textsubscript{3} Perovskites
arXiv (Cornell University)·2024Open Access
Implementation of time-dependent Hartree–Fock in real space
Electronic Structure·2024Open Access
Embedding theory contributions to average atom models for warm dense matter
arXiv (Cornell University)·2024Open Access
Approaching periodic systems in ensemble density functional theory via finite one-dimensional models
Electronic Structure·2024· 1 citedOpen Access
Computation of the expectation value of the spin operator <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msup> <mml:mrow> <mml:mover> <mml:mi>S</mml:mi> <mml:mo>^</mml:mo> </mml:mover> </mml:mrow> <mml:mn>2</mml:mn> </mml:msup> </mml:mrow> </mml:math> for the spin-flip Bethe–Salpeter equation
Electronic Structure·2024Open Access
Implementation of time-dependent Hartree-Fock in real space
arXiv (Cornell University)·2024Open Access
A substitutional quantum defect in WS2 discovered by high-throughput computational screening and fabricated by site-selective STM manipulation
Nature Communications·2024· 22 citedOpen Access
Low-energy nine-layer rhombohedral stacking of transition metal dichalcogenides
arXiv (Cornell University)·2024Open Access
Improved Methods for Modeling Functional Transition Metal Compounds in Complex Environments: Ground States, Excited States, and Spectroscopies
2024Open Access
Panoply of Ni-Doping-Induced Reconstructions, Electronic Phases, and Ferroelectricity in 1T-MoS<sub>2</sub>
The Journal of Physical Chemistry Letters·2024· 1 citedOpen Access
Enabling Oxidation Protection and Carrier-Type Switching for Bismuth Telluride Nanoribbons via <i>in Situ</i> Organic Molecule Coating
Nano Letters·2023· 4 citedOpen Access
Energy Gap from Step Structure of the Analytically Inverted Non-Additive Kinetic Potential
arXiv (Cornell University)·2023Open Access
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Frequent Co-authors

Steven G. Louie(9), Rijan Karkee(9), Enrique Guerrero(7), Miguel A. L. Marques(6), Ángel Rubio(6), Xavier Andrade(5), Micael J. T. Oliveira(5), Jeffrey C. Grossman(5), Bradford A. Barker(5), Alberto Castro(4), Enrique Guerrero(4), Mehmet Z. Baykara(3), Ask Hjorth Larsen(3), Joseba Alberdi‐Rodriguez(3), Fernando Nogueira(3), Alán Aspuru‐Guzik(3), Eric Johlin(3), Yihuang Xiong(3), Junze Zhou(3), Antonio Rossi(3)