DOE OSTI · code-64921
TChem 2.0
Abstract
The TChem toolkit is an object-oriented C++ software library that enables numerical simulations using complex chemistry and facilitates the analysis of detailed kinetic models. The toolkit provides capabilities for thermodynamic properties and gas-phase and surface chemistry. The computations rely on the Kokkos framework for parallel execution on many-core and GPU-based platforms. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. SAND2021-2752 O
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Kim, Kyungjoo, Safta, Cosmin, Diaz-Ibarra, OscarH.. 2020-10-19. TChem 2.0. https://doi.org/10.11578/dc.20210930.4
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