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5 results in Authors: Kristian Kriz

Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repulsive Contacts

Kristian Kříž, Martin Nováček, Jan Řezáč

Version 1 posted 21 December 2020

611

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Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 4: σ-Hole Interactions

Kristian Kříž, Jan Řezáč

Version 1 posted 22 February 2022

494

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Physical Chemistry

Accurate Electrostatics for Biomolecular Systems through Machine Learning

A. Najla Hosseini, Kristian Kriz, David van der Spoel

Version 1 posted 15 April 2025

227

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Theoretical and Computational Chemistry

Evolutionary Machine Learning of Physics-Based Force Fields in High-Dimensional Parameter-Space

David van der Spoel, Julian Marrades, Kristian Kriz, A. Najla Hosseini, Alfred Nordman, Joao Paulo Ateide Martins, Marie-Madeleine Walz, Paul J. van Maaren, Mohammad Mehdi Ghahremanpour

Version 1 posted 19 March 2025

718

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Physical Chemistry

An Imbalance in the Force: The Need for Standardised Benchmarks for Molecular Simulation

Kristian Kriz, Lisa Schmidt, Alfred Andersson, Marie-Madeleine Walz, David van der Spoel

Version 1 posted 27 September 2022

512

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