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Veronika Juraskova

Showing results (1-10 of 8) with videos related to

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Nature Communications|July 19, 2024
Modelling chemical processes in explicit solvents with machine learning potentialsHanwen Zhang, Veronika Juraskova, Fernanda Duarte
Digital Discovery|November 26, 2025
Active learning meets metadynamics: automated workflow for reactive machine learning interatomic potentialsValdas Vitartas, Hanwen Zhang, Veronika Juraskova, et al.
Journal of Chemical Theory and Computation|November 21, 2024
Capturing Dichotomic Solvent Behavior in Solute-Solvent Reactions with Neural Network PotentialsFrédéric Célerse, Veronika Juraskova, Shubhajit Das, 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.
Faraday Discussions|September 23, 2024
Modelling ligand exchange in metal complexes with machine learning potentialsVeronika Juraskova, Gers Tusha, Hanwen Zhang, 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 PotentialsFrédéric Célerse, Matthew D Wodrich, Sergi Vela, et al.
Journal of Chemical Theory and Computation|February 18, 2022
Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of OligopeptidesRaimon Fabregat, Alberto Fabrizio, Edgar A Engel, et al.
Faraday Discussions|December 12, 2024
Discovering chemical structure: general discussionAlán Aspuru-Guzik, Tim Bechtel, Varinia Bernales, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Nature Communications|July 19, 2024
Modelling chemical processes in explicit solvents with machine learning potentialsHanwen Zhang, Veronika Juraskova, Fernanda Duarte
Digital Discovery|November 26, 2025
Active learning meets metadynamics: automated workflow for reactive machine learning interatomic potentialsValdas Vitartas, Hanwen Zhang, Veronika Juraskova, et al.
Journal of Chemical Theory and Computation|November 21, 2024
Capturing Dichotomic Solvent Behavior in Solute-Solvent Reactions with Neural Network PotentialsFrédéric Célerse, Veronika Juraskova, Shubhajit Das, 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.
Faraday Discussions|September 23, 2024
Modelling ligand exchange in metal complexes with machine learning potentialsVeronika Juraskova, Gers Tusha, Hanwen Zhang, 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 PotentialsFrédéric Célerse, Matthew D Wodrich, Sergi Vela, et al.
Journal of Chemical Theory and Computation|February 18, 2022
Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of OligopeptidesRaimon Fabregat, Alberto Fabrizio, Edgar A Engel, et al.
Faraday Discussions|December 12, 2024
Discovering chemical structure: general discussionAlán Aspuru-Guzik, Tim Bechtel, Varinia Bernales, et al.
Pageof 1