Predictive collective variable discovery with deep Bayesian models
Schöberl, Markus, Zabaras, Nicholas, Koutsourelakis, Phaedon-Stelios
Published in The Journal of chemical physics (14.01.2019)
Published in The Journal of chemical physics (14.01.2019)
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Journal Article
Application of Machine Learning Algorithms to Metadynamics for the Elucidation of the Binding Modes and Free Energy Landscape of Drug/Target Interactions: a Case Study
Siddiqui, Gohar Ali, Stebani, Julia A., Wragg, Darren, Koutsourelakis, Phaedon‐Stelios, Casini, Angela, Gagliardi, Alessio
Published in Chemistry : a European journal (08.11.2023)
Published in Chemistry : a European journal (08.11.2023)
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Journal Article
Self-supervised optimization of random material microstructures in the small-data regime
Rixner, Maximilian, Koutsourelakis, Phaedon-Stelios
Published in npj computational materials (21.03.2022)
Published in npj computational materials (21.03.2022)
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Journal Article
Semi-supervised invertible neural operators for Bayesian inverse problems
Kaltenbach, Sebastian, Perdikaris, Paris, Koutsourelakis, Phaedon-Stelios
Published in Computational mechanics (01.09.2023)
Published in Computational mechanics (01.09.2023)
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Journal Article
Predictive coarse-graining
Schöberl, Markus, Zabaras, Nicholas, Koutsourelakis, Phaedon-Stelios
Published in Journal of computational physics (15.03.2017)
Published in Journal of computational physics (15.03.2017)
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Journal Article
A generalized probabilistic learning approach for multi-fidelity uncertainty quantification in complex physical simulations
Nitzler, Jonas, Biehler, Jonas, Fehn, Niklas, Koutsourelakis, Phaedon-Stelios, Wall, Wolfgang A.
Published in Computer methods in applied mechanics and engineering (01.10.2022)
Published in Computer methods in applied mechanics and engineering (01.10.2022)
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Journal Article
Simulation of Binary Random Fields with Applications to Two-Phase Random Media
Koutsourelakis, Phaedon-Stelios, Deodatis, George
Published in Journal of engineering mechanics (01.04.2005)
Published in Journal of engineering mechanics (01.04.2005)
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Journal Article