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Dakota Folmsbee
Dakota Folmsbee
Postdoctoral Fellow, University of Pittsburgh
Dirección de correo verificada de pitt.edu - Página principal
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Assessing conformer energies using electronic structure and machine learning methods
D Folmsbee, G Hutchison
International Journal of Quantum Chemistry 121 (1), e26381, 2021
592021
Evaluation of thermochemical machine learning for potential energy curves and geometry optimization
DL Folmsbee, DR Koes, GR Hutchison
The Journal of Physical Chemistry A 125 (9), 1987-1993, 2021
92021
Deep learning coordinate-free quantum chemistry
MK Matlock, M Hoffman, NL Dang, DL Folmsbee, LA Langkamp, ...
The Journal of Physical Chemistry A 125 (40), 8978-8986, 2021
82021
Evaluating fast methods for static polarizabilities on extended conjugated oligomers
DC Hiener, DL Folmsbee, LA Langkamp, GR Hutchison
Physical Chemistry Chemical Physics 24 (38), 23173-23181, 2022
62022
Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences
DL Folmsbee, DR Koes, GR Hutchison
Journal of Chemical Information and Modeling 63 (23), 7401-7411, 2023
22023
Evaluating and Improving the Viability of Machine Learning to Solve Chemical Problems
DL Folmsbee
University of Pittsburgh, 2022
2022
Response to Reviews of" Assessing Conformer Energies"
G Hutchison, D Folmsbee
Authorea Preprints, 2020
2020
Efficient Bayesian sampling of molecular conformers: Understanding torsional correlations and entropy effects
G Hutchison, LS Chan, GM Morris, D Folmsbee
American Chemical Society SciMeetings 1 (1), 2020
2020
Assessing conformer energies: Machine learning vs conventional quantum chemistry
D Folmsbee
American Chemical Society SciMeetings 1 (1), 2017
2017
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