Computing: Spokane cluster

The Spokane cluster is dedicated to molecular and thermodynamic modeling areas as applied to real-world geochemical problems and applications in solution, at mineral surfaces, and in the solid state.

Scientific consultants with scientific expertise and established publication records are available to collaborate on research topics such as molecular and crystalline structures, energetics, and thermodynamics of systems as well as kinetics for certain kinds of elementary chemical reactions, such as electron transfer. Calculations can be performed as either a stand-alone activity or in support of experimental or spectroscopic measurements. Thermodynamic and kinetic geochemical codes are available as well as multidimensional geochemical reaction/transport codes for numerical experiments or simulation of intermediate-scale flow and transport experiments.

All Related Publications Related Publications

1. A Dianionic Phosphorane Intermediate and Transition States in an Associative AN+DN Mechanism for the RibonucleaseA Hydrolysis Reaction.
2. Long-Range Electron Transfer Across Cytochrome-Hematite (a-Fe2O3) Interfaces.
3. Adaptive Finite Element Method for Solving the Exact Kohn-Sham Equation of Density Functional Theory.
4. Promotion of Hydrogen Release from Ammonia Borane with Mechanically Activated Hexagonal Boron Nitride.
5. Neutron Powder Diffraction and Molecular Simulation Study of the Structural Evolution of Ammonia Borane from 15 to 340 K.