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Eva Doloszeski

As seen in: Wiley Online Library, ACS Publications
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Articles

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

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By Felix Pultar, Igor Gordiy, Eva Doloszeski, Moritz Thürlemann
| ACS Publications
Introduction Click to copy section linkSection link copied! Fast and accurate modeling of the potential energy of chemical systems and its evolution over time constitutes a central problem in the natural sciences and is the main objective of computational chemistry. (1,2) While the underlying physical theories have matured over the last century, their use for practical applications has been restricted by their computational complexity.
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Neural Network Potential with Multiresolution Approach Enables Accurate Prediction of Reaction Free Energies in Solution

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By Felix Pultar, Moritz Thürlemann, Igor Gordiy, Eva Doloszeski
| dx.doi.org
Introduction Click to copy section linkSection link copied! Fast and accurate modeling of the potential energy of chemical systems and its evolution over time constitutes a central problem in the natural sciences and is the main objective of computational chemistry. (1,2) While the underlying physical theories have matured over the last century, their use for practical applications has been restricted by their computational complexity.
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Nature of the Active Ni State for Photocatalytic Hydrogen Generation (Adv. Mater. Interfaces 3/2024)

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By Jasmin S. Schubert, Eva Doloszeski, Pablo Ayala, Stephen Nagaraju Myakala
| Wiley Online Library Verified
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