TS-073587 — Magnetic nanoparticles are widely used in applications such as magnetic hyperthermia, catalysis, sensing, and data storage, yet their performance is often limited by poor control over key magnetic properties. Existing materials typically rely on size or shape control alone, which provides limited …

TS-071267 — The Need Modeling solvent effects on catalytic surfaces is critical for designing industrial processes like biomass conversion, fuel synthesis, and electrocatalysis. Traditional multiscale simulations combining density functional theory (DFT) and molecular dynamics (MD) offer accuracy but are comp…