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Papers matching “tensor train” 4

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Tensor Train Optimization for Conformational Sampling of Organic Molecules
2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

Christopher Zurek, Ruslan A. Mallaev, Alexander C. Paul, Nils van Staalduinen, Philipp Pracht, Roman Ellerbrock, +1 more

9

citations
Tensor Train Optimization for Conformational Sampling of Organic Molecules
2024 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

Christopher Zurek, Ruslan A. Mallaev, Alexander C. Paul, Nils van Staalduinen, Philipp Pracht, Roman Ellerbrock, +1 more

1

citations
Tensor Train Optimization for Conformational Sampling of Organic Molecules
2024 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

Christopher Zurek, Ruslan A. Mallaev, Alexander C. Paul, Nils van Staalduinen, Philipp Pracht, Roman Ellerbrock, +1 more

1

citations
Taming numerical imprecision by adapting the KL divergence to negative probabilities
2024 Statistics and Computing article Physics and Astronomy Statistical Mechanics and Entropy Open access

Simon Pfahler, Peter Georg, Rudolf Schill, Maren Klever, Lars Grasedyck, Rainer Spang, +1 more

4

citations

4 results