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Scientific Data|February 3, 2025
QeMFi: A Multifidelity Dataset of Quantum Chemical Properties of Diverse MoleculesVivin Vinod, Peter ZaspelJournal of Chemical Theory and Computation|May 21, 2026
LFaB: Low Fidelity as Bias for Active Learning in the Chemical Configuration SpaceVivin Vinod, Peter ZaspelJournal of Chemical Theory and Computation|March 13, 2025
Investigating Data Hierarchies in Multifidelity Machine Learning for Excitation EnergiesVivin Vinod, Peter ZaspelThe Journal of Chemical Physics|July 11, 2025
Benchmarking data efficiency in Δ-ML and multifidelity models for quantum chemistryVivin Vinod, Peter ZaspelJournal of Chemical Theory and Computation|October 20, 2023
Multifidelity Machine Learning for Molecular Excitation EnergiesVivin Vinod, Sayan Maity, Peter Zaspel, et al.Journal of Computational Chemistry|March 4, 2025
Predicting Molecular Energies of Small Organic Molecules With Multi-Fidelity MethodsVivin Vinod, Dongyu Lyu, Marcel Ruth, et al.Journal of Chemical Theory and Computation|December 6, 2018
Boosting Quantum Machine Learning Models with a Multilevel Combination Technique: Pople Diagrams RevisitedPeter Zaspel, Bing Huang, Helmut Harbrecht, et al.Pageof 1