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

How Solvents Shape Molecules: A Quantum Chemistry Journey

Explore how quantum chemistry reveals how solvents dramatically alter molecular properties and behavior through computational methods like DFT and PCM.

Michael Long
Oct 20, 2025

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