Codes

KIDS

KIDS (Kernel Integrated Dynamics Simulator) is an open-source framework specifically designed for simulating chemical and physical dynamics at atomic and molecular scales in condensed matter. It excels in classical and quantum dynamics simulations, accommodating small systems, few-body systems, reduced systems, and large many-particle systems such as molecules and condensed matter. KIDS offers a robust, versatile platform with multiple interfaces for developing advanced algorithms, ensuring ease of use and accessibility with third-party language wrappers, such as Python.

All rights are conserved under Liu’s group, see Liu’s webpage .

More details please refer to KIDS Documentation.

rust-KIDS

rust-KIDS is an implementation of KIDS in native rust. It provdes better support for automatically differentiation.

Other than KIDS maintained by Liu’s group, rust-KIDS is more open to community contribution. see rust-KIDS community