The algorithms behind TeraChem have been documented in a series of literature articles. We encourage you to browse these (institutional access will be required).

TC Journal Covers

Charge Transfer and Polarization in Solvated Proteins from Ab Initio Molecular Dynamics
I. S. Ufimtsev, N. Luehr and T. J. Martinez
Journal of Physical Chemistry Letters, Vol. 2, 1789-1793 (2011)

Excited-State Electronic Stucture with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units
C. M. Isborn, N. Luehr, I. S. Ufimtsev and T. J. Martinez
Journal of Chemical Theory and Computation, Vol. 7, 1814-1823 (2011)

Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)
N. Luehr, I. S. Ufimtsev, and T. J. Martinez
Journal of Chemical Theory and Computation, Vol. 7, 949-954 (2011)

Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients and First Principles Molecular Dynamics
I. S. Ufimtsev and T. J. Martinez
Journal of Chemical Theory and Computation, Vol. 5, 2619-2628 (2009)

Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent Field Implementation
I. S. Ufimtsev and T. J. Martinez
Journal of Chemical Theory and Computation, Vol. 5, 1004-1015 (2009)

Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation
I. S. Ufimtsev and T. J. Martinez
Journal of Chemical Theory and Computation, Vol. 4, 222-231 (2008)

Graphical Processing Units for Quantum Chemistry
I. S. Ufimtsev and T. J. Martinez
Computing in Science and Engineering, Vol. 10, 26-34 (2008)