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Sara Tkaczyk

2PUBLICATIONS

3CO-AUTHORS

Theoretical quantum chemistry

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Publications (2)

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|Dec 17, 2025

Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23.

Sara Tkaczyk, Thierry Langer, Marcus Wieder

|Nov 11, 2025

Architecture-Independent Absolute Solvation Free Energy Calculations with Neural Network Potentials.

Anna Katharina Picha, Sara Tkaczyk, Thierry Langer

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Frequent Collaborators

2 joint publications

Thierry Langer

2 joint publications

Stefan Boresch

1 joint publications

Andrea Rizzi

Frequent Collaborators

2 joint publications

Thierry Langer

2 joint publications

Stefan Boresch

1 joint publications

Andrea Rizzi

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