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Dan Mendels

7PUBLICATIONS

13CO-AUTHORS

Semi- and unsupervised learningDynamics, vibration and vibration controlChemical thermodynamics and energeticsChemical and thermal processes in energy and combustionStatistical mechanics in chemistry

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Publications (7)

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|Sep 24, 2025

Evaluating the use of a machine learning simulator for structure-property prediction: A case study on disordered elastic networks.

Salman N Salman, Sergey A Shteingolts, Ron Levie

|Jun 07, 2023

Systematic modification of functionality in disordered elastic networks through free energy surface tailoring.

Dan Mendels, Fabian Byléhn, Timothy W Sirk

|Jul 14, 2022

Solubility of Organic Salts in Solvent-Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach.

Zoran Bjelobrk, Ashwin Kumar Rajagopalan, Dan Mendels

|Mar 24, 2022

Collective Variables for Free Energy Surface Tailoring: Understanding and Modifying Functionality in Systems Dominated by Rare Events.

Dan Mendels, Juan J de Pablo

|Jul 18, 2019

Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant Analysis.

Valerio Rizzi, Dan Mendels, Emilia Sicilia

|Sep 18, 2018

Metadynamics with Discriminants: A Tool for Understanding Chemistry.

GiovanniMaria Piccini, Dan Mendels, Michele Parrinello

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Frequent Collaborators

2 joint publications

GiovanniMaria Piccini

2 joint publications

Juan J de Pablo

1 joint publications

Valerio Rizzi

1 joint publications

Emilia Sicilia

1 joint publications

Zoran Bjelobrk

1 joint publications

Ashwin Kumar Rajagopalan

1 joint publications

Tarak Karmakar

1 joint publications

Marco Mazzotti

1 joint publications

Fabian Byléhn

1 joint publications

Timothy W Sirk

Frequent Collaborators

2 joint publications

GiovanniMaria Piccini

2 joint publications

Juan J de Pablo

1 joint publications

Valerio Rizzi

1 joint publications

Emilia Sicilia

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