Studies

201
Compulsory

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<p>This course presents optimisation and standard sampling techniques for molecular simulations, complementing &quot;Computational Molecular Physics&quot; course for analysis of thermodynaic and kinetic properties.:</p> <p>Exploring the energy landscape (finding minima and transition states) by optimisation, Solvent Methods and Electrostatic interactions, Integrators for molecular dynamics simulations, Thermostats/Barostats, constraints, special energy functions</p> <p>Accompanying tutorials will be held as practical computer sessions.</p>

This course presents optimisation and standard sampling techniques for molecular simulations, complementing "Computational Molecular Physics" course for analysis of thermodynaic and kinetic properties.:

Exploring the energy landscape (finding minima and transition states) by optimisation, Solvent Methods and Electrostatic interactions, Integrators for molecular dynamics simulations, Thermostats/Barostats, constraints, special energy functions

Accompanying tutorials will be held as practical computer sessions.

Cross-language

201 159
Compulsory

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AncillaryCourses

Methods of Molecular Simulations

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