Tootfinder

Atomistic Simulations of Cation Distribution and Defect Effects on the Performance of Substituted Ferrites
Jiahao Li, Kusma Kumari Cheepurupalli, Niall J. English, Sateesh Bandaru, Xuefeng Zhang
https://arxiv.org/abs/2506.06676

Atomistic Simulations of Cation Distribution and Defect Effects on the Performance of Substituted Ferrites
This study investigates Mn-Zn ferrites (nominal composition \ce{Mn_{0.5}Zn_{0.5}Fe2O4}, MZF) substituted with tetravalent (\ce{Si^{4+}}), trivalent (\ce{Co^{3+}}), and divalent (\ce{Ca^{2+}}, \ce{Mg^{2+}}, \ce{Sn^{2+}}) ions. We comprehensively analyze how substitutions at specific tetrahedral and octahedral crystallographic sites modulate the spinel lattice's structural stability, electronic band structure, magnetic anisotropy, and electrical conductivity. Density functional theory (DFT) combi…

Optimization of Robotic Liquid Handling as a Capacitated Vehicle Routing Problem
Guangqi Wu, Runzhong Wang, Connor W. Coley
https://arxiv.org/abs/2506.02795

Optimization of Robotic Liquid Handling as a Capacitated Vehicle Routing Problem
We present an optimization strategy to reduce the execution time of liquid handling operations in the context of an automated chemical laboratory. By formulating the task as a capacitated vehicle routing problem (CVRP), we leverage heuristic solvers traditionally used in logistics and transportation planning to optimize task execution times. As exemplified using an 8-channel pipette with individually controllable tips, our approach demonstrates robust optimization performance across different l…