3 papers
physics.chem-ph2026
RLEASE: Reinforcement Learning Efficient Active Space Engine
Etinosa Osaro, Abhishek Mitra, Andrew J. Jenkins +6
Selecting the active space for multireference electronic-structure calculations is a long-standing bottleneck that often requires expert chemical intuition and costly trial-and-err…
physics.chem-ph2026
MLIPilot: LLM-Driven Auto-Research for Machine-Learned Interatomic Potentials
Etinosa Osaro, Santosh Adhikari, Stamatia Zavitsanou +2
Constructing production-quality machine-learned interatomic potentials (MLIPs) requires balancing accuracy, dynamical stability, and computational throughput under constraints that…
quant-ph2026
A Matched Spectral Benchmark of Quantum Inspired Feature Maps
Toheeb Ogunade, Taofeek Kassim, Etinosa Osaro
Quantum machine learning is often motivated by the idea that quantum systems can expose useful high-dimensional structure that is difficult to access with classical models. We isol…