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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
1IRIS AS, P.O. Box 8046, N-4068 Stavanger, Norway, and Earth Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, USA.
A new lattice Boltzmann model simulates partially miscible fluids, allowing for diffusion and surface tension. This model accurately predicts fluid behavior in scenarios like CO2 sequestration.
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