Models

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Idealised models usually consist of a simple intermolecular pair potential, whose purpose is often to study underlying physical phenomena, such as generalised phase diagrams and the study of phase transitions.

Realistic models are usually variants of idealised models, parametrised to study a specific atomic or molecular system with a certain degree of realism.

Force fields consist of (hopefully) transferable parameters for molecular sub-units. They are designed to be applicable to a variety of molecular systems, over a range of thermodynamic conditions.

Top-5 most viewed models

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