I-PI 2.0: A universal force engine for advanced molecular simulations
i-PI 2.0: A universal force engine for advanced molecular simulations is a scholarly work by Ondřej Maršálek, published in 2019 in ''Computer Physics Communications''. The main subjects of the publication include code, modular design, computer science, computational science, density functional theory, quantum biology, bottleneck, software, central force, superfluid helium-4, statistical physics, and metastability. In other words, i-PI is moving towards becoming a universal force engine that is both modular and tightly coupled to the driver codes that evaluate the potential energy surface and its derivatives.