Molecular Dynamics Simulation
Atomistic computation that propagates molecular motion through time using an interaction model and numerical integration.
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Heterogeneous Catalysis
Chemical acceleration at an interface where reactants and catalyst occupy different physical phases.
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Battery Electrochemistry
The coupled ion transport, electron transfer and materials transformations that store and release electrical energy in batteries.
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Protein Folding
The process by which an amino-acid chain acquires the three-dimensional structure needed for biological function.
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