QUICK is a GPU-enabled ab intio quantum chemistry software package
This paper describes QUICK and its GPU implementation
The code can be obtained from GitHub.
This paper describes QUICK and its GPU implementation
- Miao, Y., Merz, K. M. (2013) Acceleration of Electron Repulsion Integral Evaluation on Graphics Processing Units via Use of Recurrence Relations Journal of Chemical Theory and Computation 9, 965–976.
- Miao, Y., Merz, K. M. (2015) Acceleration of High Angular Momentum Electron Repulsion Integrals and Integral Derivatives on Graphics Processing Units Journal of Chemical Theory and Computation 11, 1449-1462.
- Manathunga M., Miao, Y., Mu, D., Goetz, A. Merz, K. M. (2020) Parallel Implementation of Density Functional Theory Methods in the Quantum Interaction Computational Kernel Program Journal of Chemical Theory and Computation 16, 4315-4326.
The code can be obtained from GitHub.