2 citations · 3 across the 5 of their papers we have counts for
5 papers · 1 filter
FPBench: Application-Oriented Error Decomposition for Foundation Potentials
Kiyan Amirian, Ramanuja Srinivasan Saravanan, Felix Adams +2
Foundation potentials (FPs) have emerged as a new basis for atomistic modeling. While their evaluation using average energy and force errors often indicates near-DFT accuracy, thei…
First-Principles Thermodynamic Analysis of Ternary Chalcogenide Phase Change Materials
Felix Adams, Ichiro Takeuchi, Carlos Ríos Ocampo +1
Chalcogenide phase-change materials (PCMs) are important for nonvolatile memory and reconfigurable photonic technologies. The GeTe-Sb2Te3 system, commonly referred to as GST, is th…
Quantum Kernel Machine Learning for Autonomous Materials Science
Felix Adams, Daiwei Zhu, David W. Steuerman +2
Autonomous materials science, where active learning is used to navigate large compositional phase space, has emerged as a powerful vehicle to rapidly explore new materials. A cruci…
Incorporating Si into Sb2Se3: Tailoring Optical Phase Change Materials via Nanocomposites
Chih-Yu Lee, Yi-Siou Huang, Felix Adams +10
Chalcogenide-based optical phase change materials (OPCMs) exhibit a large contrast in refractive index when reversibly switched between their stable amorphous and crystalline state…
Human-In-the-Loop for Bayesian Autonomous Materials Phase Mapping
Felix Adams, Austin McDannald, Ichiro Takeuchi +1
Autonomous experimentation (AE) combines machine learning and research hardware automation in a closed loop, guiding subsequent experiments toward user goals. As applied to materia…