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Chimia
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December 30, 2019
Quantum Chemistry Meets Machine Learning
Alberto Fabrizio, Benjamin Meyer, Raimon Fabregat, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 29, 2020
Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain*
Sergi Vela, Alan Scheidegger, Raimon Fabregat, et al.
Journal of Chemical Theory and Computation
|
March 28, 2020
Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry
Raimon Fabregat, Alberto Fabrizio, Benjamin Meyer, et al.
The Journal of Organic Chemistry
|
June 28, 2022
How Robust Is the Reversible Steric Shielding Strategy for Photoswitchable Organocatalysts?
Simone Gallarati, Raimon Fabregat, Veronika Juraskova, et al.
Chemical Science
|
June 14, 2021
Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts
Simone Gallarati, Raimon Fabregat, Rubén Laplaza, et al.
Journal of Chemical Theory and Computation
|
February 18, 2022
Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides
Raimon Fabregat, Alberto Fabrizio, Edgar A Engel, et al.
Journal of Chemical Information and Modeling
|
February 6, 2024
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials
Frédéric Célerse, Matthew D Wodrich, Sergi Vela, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Chimia
|
December 30, 2019
Quantum Chemistry Meets Machine Learning
Alberto Fabrizio, Benjamin Meyer, Raimon Fabregat, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 29, 2020
Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain*
Sergi Vela, Alan Scheidegger, Raimon Fabregat, et al.
Journal of Chemical Theory and Computation
|
March 28, 2020
Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry
Raimon Fabregat, Alberto Fabrizio, Benjamin Meyer, et al.
The Journal of Organic Chemistry
|
June 28, 2022
How Robust Is the Reversible Steric Shielding Strategy for Photoswitchable Organocatalysts?
Simone Gallarati, Raimon Fabregat, Veronika Juraskova, et al.
Chemical Science
|
June 14, 2021
Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts
Simone Gallarati, Raimon Fabregat, Rubén Laplaza, et al.
Journal of Chemical Theory and Computation
|
February 18, 2022
Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides
Raimon Fabregat, Alberto Fabrizio, Edgar A Engel, et al.
Journal of Chemical Information and Modeling
|
February 6, 2024
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials
Frédéric Célerse, Matthew D Wodrich, Sergi Vela, et al.
Page
of 1