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Chemical Science
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June 14, 2021
Data-powered augmented volcano plots for homogeneous catalysis
Matthew D Wodrich, Alberto Fabrizio, Benjamin Meyer, et al.
Chemical Science
|
February 15, 2020
Electron density learning of non-covalent systems
Alberto Fabrizio, Andrea Grisafi, Benjamin Meyer, 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 Chemical Physics
|
December 2, 2020
Learning on-top: Regressing the on-top pair density for real-space visualization of electron correlation
Alberto Fabrizio, Ksenia R Briling, David D Girardier, et al.
Journal of Chemical Theory and Computation
|
January 16, 2024
SPA<sup>H</sup>M(a,b): Encoding the Density Information from Guess Hamiltonian in Quantum Machine Learning Representations
Ksenia R Briling, Yannick Calvino Alonso, Alberto Fabrizio, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2015
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds
Antonio Prlj, Basile F E Curchod, Alberto Fabrizio, et al.
ACS Central Science
|
January 30, 2019
Transferable Machine-Learning Model of the Electron Density
Andrea Grisafi, Alberto Fabrizio, Benjamin Meyer, et al.
Chemical Science
|
December 22, 2022
OSCAR: an extensive repository of chemically and functionally diverse organocatalysts
Simone Gallarati, Puck van Gerwen, Ruben Laplaza, et al.
Chemical Science
|
December 6, 2019
Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands
Chad T Palumbo, Luciano Barluzzi, Rosario Scopelliti, 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.
Page
of 3
Search research articles
Search
Showing results (11-20 of 24) with videos related to
Sort By:
Page
of 3
Chemical Science
|
June 14, 2021
Data-powered augmented volcano plots for homogeneous catalysis
Matthew D Wodrich, Alberto Fabrizio, Benjamin Meyer, et al.
Chemical Science
|
February 15, 2020
Electron density learning of non-covalent systems
Alberto Fabrizio, Andrea Grisafi, Benjamin Meyer, 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 Chemical Physics
|
December 2, 2020
Learning on-top: Regressing the on-top pair density for real-space visualization of electron correlation
Alberto Fabrizio, Ksenia R Briling, David D Girardier, et al.
Journal of Chemical Theory and Computation
|
January 16, 2024
SPA<sup>H</sup>M(a,b): Encoding the Density Information from Guess Hamiltonian in Quantum Machine Learning Representations
Ksenia R Briling, Yannick Calvino Alonso, Alberto Fabrizio, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2015
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds
Antonio Prlj, Basile F E Curchod, Alberto Fabrizio, et al.
ACS Central Science
|
January 30, 2019
Transferable Machine-Learning Model of the Electron Density
Andrea Grisafi, Alberto Fabrizio, Benjamin Meyer, et al.
Chemical Science
|
December 22, 2022
OSCAR: an extensive repository of chemically and functionally diverse organocatalysts
Simone Gallarati, Puck van Gerwen, Ruben Laplaza, et al.
Chemical Science
|
December 6, 2019
Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands
Chad T Palumbo, Luciano Barluzzi, Rosario Scopelliti, 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.
Page
of 3