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Moritz Thürlemann

4PUBLICATIONS

5CO-AUTHORS

Evolutionary computationTheoretical quantum chemistryComputational chemistryData structures and algorithms

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Publications (4)

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|Jul 01, 2026

Multiscale Neural Network Potential with Anisotropic Message Passing for the Fast and Accurate Simulation of Protein Dynamics and Enzymatic Reactions.

|Feb 17, 2025

Neural Network Potential with Multiresolution Approach Enables Accurate Prediction of Reaction Free Energies in Solution.

Felix Pultar, Moritz Thürlemann, Igor Gordiy

|Nov 29, 2023

Hybrid classical/machine-learning force fields for the accurate description of molecular condensed-phase systems.

Moritz Thürlemann, Sereina Riniker

|Jul 10, 2023

Energy-based clustering: Fast and robust clustering of data with known likelihood functions.

Moritz Thürlemann, Sereina Riniker

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Frequent Collaborators

4 joint publications

Sereina Riniker

2 joint publications

Felix Pultar

2 joint publications

Igor Gordiy

1 joint publications

Eva Doloszeski

1 joint publications

Enrico Ruijsenaars

Frequent Collaborators

4 joint publications

Sereina Riniker

2 joint publications

Felix Pultar

2 joint publications

Igor Gordiy

1 joint publications

Eva Doloszeski