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James Damewood
James Damewood
Grand canonical ensemble
Monte Carlo method
Thermodynamic potential
Autoregressive model
Statistical physics
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Machine Learning Driven Discovery and Optimization of Multi-Component Oxygen Evolution Reaction Catalysts
2021
Ahmed A. Farghaly
Magali Ferrandon
Daniel Schwalbe-Koda
James Damewood
Jessica Karaguesian
Rafael Gómez-Bombarelli
Deborah J. Myers
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Sampling Lattices in Semi-Grand Canonical Ensemble with Autoregressive Machine Learning
2021
arXiv: Statistical Mechanics
James Damewood
Daniel Schwalbe-Koda
Rafael Gómez-Bombarelli
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