GIM is a new grid-independent method for void fraction calculation in CFD-DEM simulations, validated on fluidized bed experiments where unstructured grids performed better than structured ones.
Numerical simulation of the gas-solid flow in a fluidized bed by combining discrete particle method with computational fluid dynamics
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CovAngelo implements a QM/QM/MM embedding model using quantum-information metrics to compute reaction energy profiles and barriers for covalent drug binding at lower cost than conventional methods, demonstrated on zanubrutinib to BTK.
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CovAngelo: A hybrid quantum-classical computing platform for accurate and scalable drug discovery
CovAngelo implements a QM/QM/MM embedding model using quantum-information metrics to compute reaction energy profiles and barriers for covalent drug binding at lower cost than conventional methods, demonstrated on zanubrutinib to BTK.