Cutting-Edge Theoretical Studies

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

Research Articles

When Theory and Experiment Collide: The Quest to Predict Thermal Conductivity

Exploring the challenges in predicting lattice thermal conductivity through the study of copper-based sulvanites and the gap between theoretical models and experimental results.

Olivia Bennett
Oct 04, 2025

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