Qbics¶
The official website of Qbics: http://www.qbics.info
Quick links:
Release Note¶
Last update: Nov. 29, 2025
Qbics is a computational chemistry and biology program for multiscale simulations. More advanced theoretical and computational methods are demanded as systems interested in chemical and biological studies are becoming increasingly complicated. Therefore, Qbics has been developed to contain both state-of-the-art quantum mechanics (QM) and molecular mechanics (MM) method, and more importantly, QM/MM approach. All the 3 Hamiltonians can be used to perform energy calculations, geometry optimizations, molecular dynamic simulations, conformation searches, and many fantastic things!
Download Qbics¶
Last update: Nov. 29, 2025
These links points to the official website of Qbics http://www.qbics.info.
📦 Qbics Source Code (~ 200 MB) This is the lean source code of Qbics. To compile it, you may have to compile some libraries and set optimization, link options by yourself. The bonus is that you can optimize Qbics at a better level on your machine.
📦 Qbics Source Code with Environment (~ 600 MB) This is the Qbics source code with compilation environment. In principle, on most Linux and macOS systems, you can compile it with just one command
./build.sh. This is recommended if you want to compile it rapidly.
