Simone Gallarati

University of California, Los Angeles — United States

Materials Science · Physical Sciences

10h-index393citations33works3.02yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Machine Learning in Materials Science(10), Computational Drug Discovery Methods(9), Asymmetric Hydrogenation and Catalysis(9), Chemical Synthesis and Analysis(5), Crystallization and Solubility Studies(5)

Publications33 total

Transferable enantioselectivity models from sparse data
Nature·2026
Low-Cost Mechanism-Informed Features Enable Transferable Enantioselectivity Predictions from Sparse Data
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Low-Cost Mechanism-Informed Features Enable Transferable Enantioselectivity Predictions from Sparse Data
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Low-Cost Mechanism-Informed Features Enable Transferable Enantioselectivity Predictions from Sparse Data
2025
Low-Cost Mechanism-Informed Features Enable Transferable Enantioselectivity Predictions from Sparse Data
2025Open Access
Investigation on the Structure and Performance of Supported Ni Nanoparticles for the Hydrogenation of Furfural
ChemCatChem·2024· 1 citedOpen 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
Author response for "A Genetic Optimization Strategy with Generality in Asymmetric Organocatalysis as Primary Target"
2024
A genetic optimization strategy with generality in asymmetric organocatalysis as a primary target
Chemical Science·2024· 23 citedOpen Access
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-based Potentials
2023· 1 citedOpen Access
A Genetic Optimization Strategy with Generality in Asymmetric Organocatalysis as Primary Target
2023· 2 citedOpen Access
CCDC 2104530: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
Genetic Algorithms for the Discovery of Homogeneous Catalysts
CHIMIA International Journal for Chemistry·2023· 15 citedOpen Access
OSCAR: An Extensive Repository of Chemically and Functionally Diverse Organocatalysts
2022· 1 citedOpen Access
CCDC 2109141: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2098832: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Migrative Carbofluorination of Saturated Amides Enabled by Pd-Based Dyotropic Rearrangement
Journal of the American Chemical Society·2022· 32 citedOpen Access
CCDC 2096533: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
How Robust Is the Reversible Steric Shielding Strategy for Photoswitchable Organocatalysts?
The Journal of Organic Chemistry·2022· 8 citedOpen Access
CCDC 2094813: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
page 1 of 2Next →

Frequent Co-authors

Clémence Corminbœuf(22), Rubén Laplaza(9), Matthew D. Wodrich(7), Puck van Gerwen(6), Jieping Zhu(6), Raimón Fabregat(4), Sergi Vela(4), Rosa Arrigo(4), Miyeon Chang(4), Nicolai Cramer(4), Qian Wang(4), Hua Wu(3), Lucien Brey(3), Alexander Makaveev(3), Veronika Jurásková(3), Łukasz Woźniak(3), Guoqiang Yang(3), Alberto Fabrizio(2), Qian Wang(2), Takuji Fujii(2)