MADField is a multi-fidelity amortized model for predicting density fields to improve accuracy and speed of adsorption calculations in nanoporous materials for high-throughput screening.
Boyd, Stephen Maley, Marco Gibaldi, Scott Simrod, and Tom K
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MADField: Multi-fidelity Amortized Density Field for Adsorption in Nanoporous Materials
MADField is a multi-fidelity amortized model for predicting density fields to improve accuracy and speed of adsorption calculations in nanoporous materials for high-throughput screening.