Veronika Juraskova

5PUBLICATIONS
39CO-AUTHORS
Statistical mechanics in chemistryNatural products and bioactive compoundsComputational chemistryMain group metal chemistryCatalysis and mechanisms of reactions
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Publications (5)

|Nov 26, 2025
Active learning meets metadynamics: automated workflow for reactive machine learning interatomic potentials.

Valdas Vitartas, Hanwen Zhang, Veronika Juraskova

|Dec 12, 2024
Discovering chemical structure: general discussion.

Alán Aspuru-Guzik, Tim Bechtel, Varinia Bernales

|Nov 21, 2024
Capturing Dichotomic Solvent Behavior in Solute-Solvent Reactions with Neural Network Potentials.

Frédéric Célerse, Veronika Juraskova, Shubhajit Das

|Sep 23, 2024
Modelling ligand exchange in metal complexes with machine learning potentials.

Veronika Juraskova, Gers Tusha, Hanwen Zhang

|Jul 19, 2024
Modelling chemical processes in explicit solvents with machine learning potentials.

Hanwen Zhang, Veronika Juraskova, Fernanda Duarte

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Frequent Collaborators

3 joint publications

Hanwen Zhang

3 joint publications

Fernanda Duarte

1 joint publications

Gers Tusha

1 joint publications

Lars V Schäfer