Cutting-Edge Theoretical Studies

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

Research Articles

AgCrS2: The Two-Dimensional Material That Breaks All the Rules

Discover how non-van der Waals AgCrS2 nanosheets are revolutionizing materials science with their unique properties and potential applications.

Ellie Ward
Nov 02, 2025

The Mathematics of Wonder Material: How Topology Predicts Titania's Power

Explore how topological indices and mathematical modeling predict the extraordinary properties of titania nanosheets for advanced materials science applications.

Logan Murphy
Oct 29, 2025

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