From the 1 of 3 linked papers with an AI index.
3 papers
The role of absorption in three-dimensional electron diffraction dynamical structure refinement
Benjamin Colmey, Tiarnan A. S. Doherty, Shreshth A. Malik +1
The paper investigates how absorption influences three‑dimensional electron diffraction data, deriving analytical expressions, performing many‑beam simulations, and showing that ac…
MADE: Benchmark Environments for Closed-Loop Materials Discovery
Shreshth A Malik, Tiarnan Doherty, Panagiotis Tigas +4
Existing benchmarks for computational materials discovery primarily evaluate static predictive tasks or isolated computational sub-tasks. While valuable, these evaluations neglect…
Hybrid Physics-Machine Learning Models for Quantitative Electron Diffraction Refinements
Shreshth A. Malik, Tiarnan A. S. Doherty, Benjamin Colmey +3
High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described t…