Machine Learning Interatomic Potentials

Physics BSc thesis project featured image

Physics BSc thesis project

Summary Physics BSc thesis project titled “Study of the Physical Adequacy of Machine Learning Potentials”, developed at ICMAB and presented at the Department of Physics at the …

Beyond benchmarks: Importance of the physical adequacy in Machine Learning Interatomic Potentials featured image

Beyond benchmarks: Importance of the physical adequacy in Machine Learning Interatomic Potentials

Important areas such as material design, drug discovery and catalysis rely on modeling the system as set of interacting atoms. Knowledge of these interactions is crucial to …

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Sergi Ortiz Ropero