TeraChem TeraChem is the first computational chemistry software program written completely from scratch to benefit from the new streaming processors such as graphics processing units . The computational algorithms have been completely redesigned to exploit massive parallelism of CUDA-enabled Nvidia GPUs . The original development started at the University of Illinois at Urbana-Champaign .software was subsequently commercialized. Now it is distributed by PetaChem, LLC, located in the Silicon Valley . The software package is under active development and new features are released often.Core features Very fast ab initio molecular dynamics and density functional theory methods for nanoscale biomolecular systems with hundreds of atoms are arguably the most attractive features of TeraChem. Its affinity to extreme performance is also exemplified in the TeraChem motto "Chemistry at the Speed of Graphics" . All the methods used arecomputer hardware .user guide .Press coverage The software is featured in a series of clips on its own YouTube channel under "GPUChem" user. TeraChem v1.5 release New kinds of science enabled: ab initio dynamics of proton transfer Discovery mode: reactions in nanocavities TeraChem performance on 4 GPUs: Major release history 2017 2016 2012 2011 TeraChem version 1.5a TeraChem version 1.43b-1.45b TeraChem version 1.42 2010 TeraChem version 1.0 TeraChem version 1.0bPublication list Journal of Physical Chemistry Letters , Vol. 2, 1789-1793 Journal of Chemical Theory and Computation , Vol. 7, 1814-1823 Science and Engineering , Vol. 10, 26-34 Journal of Physical Chemistry C , Vol. 115, 10044–10055 Applied Physics Letters 98, 261906 Physical Review B 82, 153409 Lecture Notes in Computer Science , 7136/2012, 276-284
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