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Journal of Chemical Theory and Computation
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October 11, 2022
Quantum Chemical Roots of Machine-Learning Molecular Similarity Descriptors
Stefan Gugler, Markus Reiher
Journal of Chemical Theory and Computation
|
October 12, 2019
Gaussian Process-Based Refinement of Dispersion Corrections
Jonny Proppe, Stefan Gugler, Markus Reiher
The Journal of Chemical Physics
|
March 3, 2026
How simple can you go? An off-the-shelf transformer approach to molecular dynamics
Max Eissler, Tim Korjakow, Stefan Ganscha, et al.
The Journal of Chemical Physics
|
November 15, 2022
Ligand additivity relationships enable efficient exploration of transition metal chemical space
Naveen Arunachalam, Stefan Gugler, Michael G Taylor, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
October 11, 2022
Quantum Chemical Roots of Machine-Learning Molecular Similarity Descriptors
Stefan Gugler, Markus Reiher
Journal of Chemical Theory and Computation
|
October 12, 2019
Gaussian Process-Based Refinement of Dispersion Corrections
Jonny Proppe, Stefan Gugler, Markus Reiher
The Journal of Chemical Physics
|
March 3, 2026
How simple can you go? An off-the-shelf transformer approach to molecular dynamics
Max Eissler, Tim Korjakow, Stefan Ganscha, et al.
The Journal of Chemical Physics
|
November 15, 2022
Ligand additivity relationships enable efficient exploration of transition metal chemical space
Naveen Arunachalam, Stefan Gugler, Michael G Taylor, et al.
Page
of 1