The virtual spin dynamics laboratory

MolSpin, short for Molecular Spin Dynamics, is a general software designed to perform any kind of calculation on spin systems. The MolSpin software package is a virtual spin dynamics laboratory that allows exploration of any spin system or any process involving spins.

It is designed to be as general as possible, and with a great emphasis on extensibility making it easy to implement new algorithms when the standard features does not suffice - and extending MolSpin is much easier than writing a new script in e.g. Matlab. Also note that in contrast to other spin dynamics software packages, MolSpin is not limited to specific calculation types, such as solving the Liouville-von Neumann equation, but can also support completely different tasks such as semi-classical simulations or simulate a quantum computer.


Spin relaxation with MolSpin - New publication!
May 7th 2023 Modeling spin relaxation in complex radical systems using MolSpin is published in Journal of Computational Chemistry.

First MolSpin paper published
November 18th 2019 MolSpin—Flexible and extensible general spin dynamics software is published in The Journal of Chemical Physics.

MolSpin Released
August 12th 2019 MolSpin is released - you can find it here, but make sure to check the user manual which has a guide that helps you getting started.