Cutting-Edge Theoretical Studies

Dive into peer-reviewed articles on DFT simulations, reaction mechanisms, and ab initio calculations shaping modern chemical science.

Research Articles

The Curvature Effect: How Wrinkles in Graphene Could Revolutionize Hydrogen Storage

Exploring how curvature-dependent chemisorption in graphene enables advanced hydrogen storage solutions through Density Functional Theory studies.

Logan Murphy
Aug 22, 2025

Nanoporous Ices: The Cosmic Sponges Revolutionizing Science

Explore the fascinating world of nanoporous ices, a revolutionary class of materials with applications from clean energy storage to biomedical technologies.

Gabriel Morgan
Aug 20, 2025

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