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Veronika Jurásková

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PDRA

University of Oxford

United Kingdom

Research Interests

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Professors in United Kingdom Professors in Organic Chemistry Organic Chemistry professors in United Kingdom

Recent Grants

Grant: Close

Development of transferable machine learning potentials for simulation of metal-ligand interactions in complex environments

Open Date: 2022-11-01

Close Date: 2024-10-31

Articles (5)

Year:

2026

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Collaborators (5)

Sergi Vela

Científic Titular (Tenured Researcher)

Institut Català d'Investigació Química

SPAIN

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Shubhajit Das

Technische Universität Dresden

GERMANY

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Matthew Wodrich

Research Scientist

EPFL (École Polytechnique Fédérale de Lausanne)

SWITZERLAND

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Fernanda Duarte

Associate Professor

University of Oxford

UNITED KINGDOM

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Lars Schäfer

Professor

Ruhr-Universität Bochum

GERMANY

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Veronika Jurásková

Research Interests

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Recent Grants

Articles (5)

Active learning meets metadynamics: automated workflow for reactive machine learning interatomic potentials

Modelling ligand exchange in metal complexes with machine learning potentials

Modelling chemical processes in explicit solvents with machine learning potentials

From Organic Fragments to Photoswitchable Catalysts: The OFF–ON Structural Repository for Transferable Kernel-Based Potentials

Capturing Dichotomic Solvent Behavior in Solute–Solvent Reactions with Neural Network Potentials

Collaborators (5)

Sergi Vela

Shubhajit Das

Matthew Wodrich

Fernanda Duarte

Lars Schäfer

Make your next move.