2 papers
cond-mat.mtrl-sci2026
The role of absorption in three-dimensional electron diffraction dynamical structure refinement
Benjamin Colmey, Tiarnan A. S. Doherty, Shreshth A. Malik +1
The role of absorption in 3D electron diffraction is established through analytical theory, simulation, and dynamical refinement. A two-beam expression for the absorbed integrated…
cs.LG2026
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…