Raimón Fabregat

Centre Tecnologic de Telecomunicacions de Catalunya — Spain

Materials Science · Physical Sciences

8h-index240citations22works1.02yr avg
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Research Topics

Photochromic and Fluorescence Chemistry(7), Machine Learning in Materials Science(7), Organic Electronics and Photovoltaics(6), Computational Drug Discovery Methods(6), Conducting polymers and applications(4)

Publications22 total

Optimization of Vineyard Task Planning: Constraint Programming Based Tool with Customizable Domain
Frontiers in artificial intelligence and applications·2024Open Access
From Organic Fragments to Photoswitchable Catalysts: The OFF–ON Structural Repository for Transferable Kernel-Based Potentials
Journal of Chemical Information and Modeling·2024· 2 citedOpen Access
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-based Potentials
2023· 1 citedOpen Access
Metric learning for kernel ridge regression: assessment of molecular similarity
Machine Learning Science and Technology·2022· 13 citedOpen Access
How Robust Is the Reversible Steric Shielding Strategy for Photoswitchable Organocatalysts?
The Journal of Organic Chemistry·2022· 8 citedOpen Access
Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides
Journal of Chemical Theory and Computation·2022· 15 citedOpen Access
Is a Single Conformer Sufficient to Describe the Reorganization Energy of Amorphous Organic Transport Materials?
The Journal of Physical Chemistry C·2021· 10 citedOpen Access
Identifying the Trade-off between Intramolecular Singlet Fission Requirements in Donor–Acceptor Copolymers
Chemistry of Materials·2021· 20 citedOpen Access
Is a Single Conformer Sufficient to Describe the Reorganization Energy of Amorphous Organic Transport Materials?
2021· 1 citedOpen Access
Is a Single Conformer Sufficient to Describe the Reorganization Energy of Amorphous Organic Transport Materials?
2021· 1 citedOpen Access
Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts
Chemical Science·2021· 104 citedOpen Access
Identifying the Trade-off between Intramolecular Singlet Fission Requirements in Donor-Acceptor Copolymers
2020Open Access
Identifying the Trade-off between Intramolecular Singlet Fission Requirements in Donor-Acceptor Copolymers
2020· 1 citedOpen Access
Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain**
Chemistry - A European Journal·2020· 15 citedOpen Access
Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain
2020Open Access
Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain
Zenodo (CERN European Organization for Nuclear Research)·2020Open Access
Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain
2020· 2 citedOpen Access
Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain
2020· 4 citedOpen Access
Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain
2020Open Access
Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry
Journal of Chemical Theory and Computation·2020· 26 citedOpen Access
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Frequent Co-authors

Clémence Corminbœuf(18), Sergi Vela(11), Rubén Laplaza(6), Simone Gallarati(4), Veronika Jurásková(4), Alan Scheidegger(4), Matthew D. Wodrich(3), Alberto Fabrizio(3), Benjamin Meyer(3), Maria Fumanal(3), Kun‐Han Lin(3), Iwona Swiderska(3), Hélène Wu(2), Frédéric Célerse(2), Alan Alan(2), Clemence(2), Rubén Laplaza(1), Sinjini Bhattacharjee(1), Daniel Hollas(1), Edgar A. Engel(1)