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Fix typo and add reference
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PaulWAyers authored Feb 20, 2025
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# NICE
NICE is a package for determining solving simultaneous equilibria problems with networks of complex chemical reactions. The name comes because the main approach is **N**et-event kinetic Monte Carlo, applied to fill in an **ICE** ([Initial, Charge, Equilibrium](https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Equilibria/Le_Chateliers_Principle/Ice_Tables) table.
NICE is a package for determining solving simultaneous equilibria problems with networks of complex chemical reactions. The name comes because the main approach is [**N**et-event kinetic Monte Carlo](https://www.sciencedirect.com/science/article/pii/S0098135404002789), applied to fill in an **ICE** ([Initial, Charge, Equilibrium](https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Equilibria/Le_Chateliers_Principle/Ice_Tables)) table.

The scope of `NICE` also supports direct solution of the nonlinear equations associated with simultaneous equilibria and (normal) kinetic Monte Carlo. While some innovations are present in the net-event kinetic Monte Carlo code, the intention of NICE is to support studies of relatively complicated but small systems: sophisticated parallelization techniques that would be needed to treat very large-scale problems are not included.


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