CORDIS Project
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This project aims to enhance the understanding of high-pressure phases in molecular solids by developing a method to accurately predict binding energies and phase stability. By combining advanced computational techniques, it seeks to address challenges in reproducibility and precision in theoretical predictions.
The description of high pressure phases or polymorphism of molecular solids represents a significant scientific challenge both for experiment and theory.
Theoretical methods that are currently used struggle to describe the tiny energy differences between different phases.
It is the aim of this project to develop a scheme that would allow accurate and reliable predictions of the binding energies of molecular solids and of the energy differences between different phases.To reach the required accur…
UNIVERZITA KARLOVA
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