Quantum Chemistry Research Repository

Access in-depth studies on molecular simulations, electronic structure theories, and quantum computational advancements

Research Articles

Molecular Matchmaking: How Computers are Designing the Future of Materials

Exploring how multi-layer meta-metaworkflows and the MoSGrid Science Gateway are revolutionizing our understanding of solvent effects in transition metal systems.

Adrian Campbell
Oct 31, 2025

The Secret Ingredient for Next-Gen Tech: A Quantum Dive into Metal Magic

Discover how the Second Ionization Potential of transition metals unlocks revolutionary nonlinear optical materials for future technologies.

Aria West
Oct 13, 2025

Nanoscale Alchemy: Decorating Carbon Nanotubes with Transition Metals

Explore the cutting-edge science of decorating carbon nanotubes with transition metal atoms to create revolutionary materials for clean energy and environmental applications.

Christian Bailey
Oct 02, 2025

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