Radu Talmazan

11PUBLICATIONS
31CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Statistical mechanics in chemistryDeep learningDecision makingProcess control and simulation
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Publications (11)

|Oct 14, 2026
A self-adaptive tube restraint for free-energy calculations along path collective variables.

|Aug 29, 2026
Learning the reaction coordinate: collective variables from physical intuition to generative models.

|Feb 17, 2026
Learning the committor without collective variables.

Sergio Contreras Arredondo, Chenyu Tang, Radu A Talmazan

|Jan 16, 2026
Following the Committor Flow: A Data-Driven Discovery of Transition Pathways.

Cheng Giuseppe Chen, Chenyu Tang, Alberto Megías

|Jan 06, 2026
From Static Pathways to Dynamic Mechanisms: A Committor-Based Data-Driven Approach to Chemical Reactions.

Radu A Talmazan, Christophe Chipot

|Sep 12, 2025
Coupling causality and interpretable machine learning to reveal the reaction coordinate of C-N coupling with a supramolecular Cu-calix[8]arene catalyst.

R A Talmazan, J Gamper, I Castillo

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Frequent Collaborators

5 joint publications

Christophe Chipot

4 joint publications

Maren Podewitz

4 joint publications

Chenyu Tang

3 joint publications

Cheng Giuseppe Chen