Knowledge Center

This is the main portal to learn all things relate to computer modelling, including both atomistics and mesoscopic simulations and techniques.

To know what modelling is all about, see Introduction to Molecular Modelling

Modelling methods

• Molecular Dynamics
• Classical force fields
• Coarse-graining
• Thermostats and barostats (system regulators)

• Dissipative Particle Dynamics (DPD)
• Additional details on DPD
• Lattice Boltzmann Equation (LBE)
• Additional details on LBE

Interactive learning. Democritus, is a simple interactive molecular dynamics simulation in 2D.

• Democritus
• MD Simulation of Copper Sputtering
• Monte Carlo Polymer

Miscellaneous Articles

• Dimensionless numbers
• Miscellaneous Articles

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