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Items where Author is "Boittier, Eric D."

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Group by: Date | Item Type | Refereed
Jump to: 2022 | 2021
Number of items: 4.

2022

Boittier, Eric D. and Devereux, Mike and Meuwly, Markus. (2022) Molecular Dynamics with Conformationally Dependent, Distributed Charges. Journal of Chemical Theory and Computation, 18 (12). pp. 7544-7554.

Vazquez-Salazar, Luis Itza and Boittier, Eric D. and Meuwly, Markus. (2022) Uncertainty Quantification for Predictions of Atomistic Neural Networks. Chemical Science, 13 (44). pp. 13068-13084.

2021

Vazquez-Salazar, Luis Itza and Boittier, Eric D. and Unke, Oliver T. and Meuwly, Markus. (2021) Impact of the Characteristics of Quantum Chemical Databases on Machine Learning Predictions of Tautomerization Energies. Journal of Chemical Theory and Computation, 17 (8). pp. 4769-4785.

Kaser, Silvan and Boittier, Eric D. and Upadhyay, Meenu and Meuwly, Markus. (2021) Transfer Learning to CCSD (T): Accurate Anharmonic Frequencies from Machine Learning Models. Journal of Chemical Theory and Computation, 17 (‏6). pp. 3687-3699 .

This list was generated on Thu Mar 28 17:51:29 2024 CET.