180 citations · 521 across the 10 of their papers we have counts for
10 papers
Multivariate Prediction Intervals for Random Forests
Brendan Folie, Maxwell Hutchinson
Accurate uncertainty estimates can significantly improve the performance of iterative design of experiments, as in Sequential and Reinforcement learning. For many such problems in…
Quantifying uncertainty in high-throughput density functional theory: a comparison of AFLOW, Materials Project, and OQMD
Vinay I. Hegde, Christopher K. H. Borg, Zachary del Rosario +7
A central challenge in high throughput density functional theory (HT-DFT) calculations is selecting a combination of input parameters and post-processing techniques that can be use…
Overcoming data scarcity with transfer learning
Maxwell L. Hutchinson, Erin Antono, Brenna M. Gibbons +3
Despite increasing focus on data publication and discovery in materials science and related fields, the global view of materials data is highly sparse. This sparsity encourages tra…
Building Data-driven Models with Microstructural Images: Generalization and Interpretability
Julia Ling, Maxwell Hutchinson, Erin Antono +3
As data-driven methods rise in popularity in materials science applications, a key question is how these machine learning models can be used to understand microstructure. Given the…
On the Strong Scaling of the Spectral Element Solver Nek5000 on Petascale Systems
Nicolas Offermans, Oana Marin, Michel Schanen +7
The present work is targeted at performing a strong scaling study of the high-order spectral element fluid dynamics solver Nek5000. Prior studies indicated a recommendable metric f…
High-Dimensional Materials and Process Optimization using Data-driven Experimental Design with Well-Calibrated Uncertainty Estimates
Julia Ling, Max Hutchinson, Erin Antono +2
The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and…
Direct numerical simulation of single mode three-dimensional Rayleigh-Taylor experiments
Maxwell Hutchinson
The single-mode Rayleigh-Taylor instability (smRTI) is well defined, poorly understood, and applicable to many fluid flows directly and through its relationship to multi-mode Rayle…
The Shirley reduced basis: a reduced order model for plane-wave DFT
Maxwell Hutchinson, David Prendergast
The Shirley reduced basis (SRB) represents the periodic parts of Bloch functions as linear combi- nations of eigenvectors taken from a coarse sample of the Brillouin zone, orthogon…
Enumeration of octagonal tilings
Maxwell Hutchinson, Michael Widom
Random tilings are interesting as idealizations of atomistic models of quasicrystals and for their connection to problems in combinatorics and algorithms. Of particular interest is…
VASP on a GPU: application to exact-exchange calculations of the stability of elemental boron
Maxwell Hutchinson, Michael Widom
General purpose graphical processing units (GPU's) offer high processing speeds for certain classes of highly parallelizable computations, such as matrix operations and Fourier tra…