301 citations · 1.9k across the 37 of their papers we have counts for
9 papers · 1 filter
Electronic structure of boron and aluminum -doped layers in silicon
Quinn T. Campbell, Shashank Misra, Andrew D. Baczewski
Recent work on atomic-precision dopant incorporation technologies has led to the creation of both boron and aluminum -doped layers in silicon with densities above the solid solu…
Impact of Electronic Correlations on High-Pressure Iron: Insights from Time-Dependent Density Functional Theory
Kushal Ramakrishna, Mani Lokamani, Andrew Baczewski +2
We present a comprehensive investigation of the electrical and thermal conductivity of iron under high pressures at ambient temperature, employing the real-time formulation of time…
Electron dynamics in extended systems within real-time time-dependent density functional theory
Alina Kononov, Cheng-Wei Lee, Tatiane Pereira dos Santos +10
Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density functional theory has emerged as a promising first-principles framework to describe…
Electrical Conductivity of Iron in Earth's Core from Microscopic Ohm's Law
Kushal Ramakrishna, Mani Lokamani, Andrew Baczewski +2
Understanding the electronic transport properties of iron under high temperatures and pressures is essential for constraining geophysical processes. The difficulty of reliably meas…
First-principles simulation of light-ion microscopy of graphene
Alina Kononov, Alexandra Olmstead, Andrew D. Baczewski +1
The extreme sensitivity of 2D materials to defects and nanostructure requires precise imaging techniques to verify presence of desirable and absence of undesirable features in the…
First-principles modeling of plasmons in aluminum under ambient and extreme conditions
Kushal Ramakrishna, Attila Cangi, Tobias Dornheim +2
The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of inelastic scattering diagnostics in many experiments. We highlight the utility of lin…
X-Ray Thomson scattering without the Chihara decomposition
Andrew D. Baczewski, Luke Shulenburger, Michael P. Desjarlais +2
X-Ray Thomson Scattering (XRTS) is an important experimental technique used to measure the temperature, ionization state, structure, and density of warm dense matter (WDM). The fun…
The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus
Luke Shulenburger, Andrew D. Baczewski, Zhen Zhu +2
An outstanding challenge of theoretical electronic structure is the description of van der Waals (vdW) interactions in molecules and solids. Renewed interest in resolving this is i…
Comment on "Self-Averaging Stochastic Kohn-Sham Density-Functional Theory"
Jonathan E. Moussa, Andrew D. Baczewski
In a recent Letter, Baer et al. present a stochastic method for Kohn-Sham density functional theory calculations. Their convergence criterion is the self-averaging total energy per…