TeraChem is a computational chemistry software program designed for CUDA-enabled Nvidia GPUs. The initial development started at the University of Illinois at Urbana-Champaign and was subsequently commercialized. It is currently distributed by PetaChem, LLC, located in Silicon Valley.[1] As of 2020, the software package is still under active development.
Developer(s) | PetaChem |
---|---|
Initial release | May 2010 |
Stable release | 1.93P
/ August 16, 2017 |
Written in | C, CUDA |
Operating system | Linux |
Platform | x86-64, Nvidia GPUs |
Type | Molecular modelling |
License | Proprietary commercial software |
Website | petachem |
TeraChem is capable of fast ab initio molecular dynamics and can utilize density functional theory (DFT) methods for nanoscale biomolecular systems with hundreds of atoms.[2] All the methods used are based on Gaussian orbitals, in order to improve performance on contemporary (2010s) computer hardware.[3]
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