How We Got Started

Solving the electronic Schrodinger equation is the basis for understanding the forces between atoms in molecules. We were frustrated that this took so long on conventional computers. In 2001, we began exploring the use of graphical processing units (first on Sony's PlayStation 2) to alleviate this computational bottleneck. After many years of research and redesign of algorithms, we were able to exploit GPUs effectively. In 2007, NVIDIA introduced the CUDA framework, which allowed us to create TeraChem - a new quantum chemistry software package designed from the ground up for GPUs. We wanted others to be able to benefit from the advanced algorithms in TeraChem. Thus, PetaChem, LLC was founded in 2009 to promote the use of graphics processors (GPUs) for electronic structure theory and first principles molecular dynamics. The first beta version of TeraChem was released in May, 2010 and the package is now at version 1.5. For a fully functional, free 30-day TeraChem trial version reach us here!