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4 results in Authors: Jurgis Ruza

Theoretical and Computational Chemistry

Autonomous Discovery of Polymer Electrolyte Formulations with Warm-start Batch Bayesian Optimization

Jurgis Ruza, Michael Stolberg, Sawyer Cawthern, Jeremiah Johnson, Yang Shao-Horn, Rafael Gomez-Bombarelli

Version 1 posted 07 April 2025

255

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Equipping data-driven experiment planning for Self-driving Laboratories with semantic memory: case studies of transfer learning in chemical reaction optimization

Riley Hickman, Jurgis Ruža, Loïc Roch, Hermann Tribukait, Alberto García-Durán

Version 1 posted 10 May 2022

1,007

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3

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Materials Science

End-To-End Learning of Classical Interatomic Potentials for Benchmarking Anion Polarization Effects in Lithium Polymer Electrolytes

Pablo A. Leon, Avni Singhal, Jurgis Ruza, Jeremiah Johnson, Yang Shao-Horn, Rafael Gomez-Bombarelli

Version 2 posted 11 September 2024

537

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Theoretical and Computational Chemistry

Benchmarking Classical Molecular Dynamics Simulations for Computational Screening of Lithium Polymer Electrolytes

Jurgis Ruza, Pablo Leon, KyuJung Jun, Jeremiah Johnson, Yang Shao-Horn, Rafael Gomez-Bombarelli

Version 2 posted 10 April 2025

622

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