Welcome to QM4D

QM4D is a quantum mechanical (QM)/molecular mechanical (MM) molecular dynamics (MD) simulation package.

QM4D is an in-house program used by Dr. Weitao Yang's research group. The software project was started by Xiangqian Hu and Hao Hu, who wrote most of the essential routines. The program is intended to be released as open source software soon, after all the cleanup is completed. If you want to test it now, use the following command:

git clone https://qm4d.org/git/qm4d

You will need an username and a password (you can register using Trac, the link is at the bottom of the page). Please note that the registration itself is not sufficient, and the newly created account has to be authorized by the site maintainer. To make this happen, contact Weitao Yang or Tomasz Janowski (the site admin) and explain in a few words why you need the software. In the long run the code will be made freely available to the public without a password. Uploading revisions to the code will always require authorization.

Developer's communication channel. Testing phase starting 05/05/2017.

We have recently deployed a communication tool for research and development purposes based on Mattermost software. The link is listed below. If you need to specify it explicitly in e.g. an Android app then paste the following:


About this website

This website is dedicated to developers and senior users in order to develop and maintain the QM4D source code. To join our team, whether as a developer or an user, please contact the group leader Dr. Weitao Yang or the site admin Tomasz Janowski.

Important links:

  1. Code tracking
  2. Mattermost server