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Etomica is a collection of resources for molecular modeling, developed at the University at Buffalo.


Documentation and downloads for a framework written in Java to support object-oriented development of a wide variety of molecular simulations.


Interactive molecular simulations and tutorials that provide insight on how molecular behavior leads to thermodynamics, transport phenomena, and chemical reaction kinetics.


Useful web applications related to molecular modeling.


Lecture slides, reading material, and exercises relating to molecular modeling and simulation.

Molecular modeling is concerned with understanding and evaluating material behavior using models for how molecules interact. A quantitative connection between molecular and macroscopic behaviors can be made rigorously using either molecular simulation, or calculation of virial coefficients. This site provides information and resources relating to both approaches.