127 citations · 170 across the 4 of their papers we have counts for
4 papers
Tunable electrochemistry with moiré flat bands and topological defects at twisted bilayer graphene
Yun Yu, Kaidi Zhang, Holden Parks +9
Tailoring electron transfer dynamics across solid-liquid interfaces is fundamental to the interconversion of electrical and chemical energy. Stacking atomically thin layers with a…
Uncertainty quantification in first-principles predictions of phonon properties and lattice thermal conductivity
Holden L. Parks, Hyun-Young Kim, Venkatasubramanian Viswanathan +1
We present a framework for quantifying the uncertainty that results from the choice of exchange-correlation (XC) functional in predictions of phonon properties and thermal conducti…
Machine Learning Enabled Discovery of Application Dependent Design Principles for Two-dimensional Materials
Victor Venturi, Holden Parks, Zeeshan Ahmad +1
The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calcul…
Uncertainty Quantification in First-Principles Predictions of Harmonic Vibrational Frequencies of Molecules and Molecular Complexes
Holden L. Parks, Alan. J. H. McGaughey, Venkatasubramanian Viswanathan
Accurate prediction of molecular vibrational frequencies is important to identify spectroscopic signatures and reaction thermodynamics. In this work, we develop a method to quantif…