Author

Alessio Gagliardi

2 papers indexed here

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#artificial intelligence Preprint Sep 2026

Accelerated surrogate dynamics for dynamical, stochastic system evolution

Dynamic simulations are an entrenched way of gaining insight into the evolution of system dynamics. Their computational cost however is often prohibitively high, especially in cases of stochastic frameworks. Machine learning algorithms are especially suited as simulation surrogates. Nevertheless, they face some very di...

Marco Jochum, I. Kouroudis, G. Siddiqui et al. · 0 citations

Open access Jul 2026

Data-driven transfer learning across MOF-derived zirconia polymorphs

Despite extensive investigation of metal-organic framework (MOF) derived materials over the last 20 years, no systematic approach to predict the structural properties of the derived metal oxides is available. We present an integrated machine learning (ML) approach leveraging Smooth Overlap of Atomic Positions (SOAP) an...

David Gryc, I. Kouroudis, Pritam Banerjee et al. · npj Computational Materials · 0 citations